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HCID 638024作成日：2026年11月4日

1-[5-(1,3-ベンゾジオキソール-5-イル)-1-オキソ-2,4-ペンタジエニル]ピペリジン

1-[5-(1,3-ベンゾジオキソール-5-イル)-1-オキソ-2,4-ペンタジエニル]ピペリジン · 1-ピペリジノ-5-(1,3-ベンゾジオキソール-5-イル)-2,4-ペンタジエン-1-オン · 4-(1,3-ベンゾジオキソール-5-イル)-1,3-ブテニルピペリジノケトン · 5-(2H-1,3-ベンゾジオキソール-5-イル)-1-(ピペリジン-1-イル)ペンタ-2,4-ジエン-1-オン · 1-(1,3-ベンゾジオキソール-5-イル)-5-ピペリジノ-1,3-ペンタジエン-5-オン · 5-(1,3-ベンゾジオキソール-5-イル)-1-(ピペリジン-1-イル)-2,4-ペンタジエン-1-オン · 5-stilbenediol · (E/Z)-Piperine

https://huagongshe.com/ja/chemical/638024

1-[5-(1,3-ベンゾジオキソール-5-イル)-1-オキソ-2,4-ペンタジエニル]ピペリジンの分子構造式

識別子と物理属性

CAS No.	7780-20-3
分子式	C17H19NO3
平均分子量	285.34 g/mol
単同位体質量	285.13649347 g/mol
SMILES	O=C(/C=C/C=C/c1ccc2c(c1)OCO2)N1CCCCC1
InChIKey	MXXWOMGUGJBKIW-YPCIICBESA-N
PubChem CID	638024
ChEMBL	CHEMBL43185
ChEBI	CHEBI:28821
EC No.	202-348-0
DTXSID	DTXSID3021805
現地名	1-[5-(1,3-ベンゾジオキソール-5-イル)-1-オキソ-2,4-ペンタジエニル]ピペリジン

化学・物理的性質

XLogP	3.5
極性表面積	38.8
水素結合供与体数	0
水素結合受容体数	3
回転可能結合数	3
重原子数	21
形式電荷	0
複雑度	412
物質分類	Other Uses -> Food Additives
医薬品	Pharmaceuticals -> Listed in ZINC15
SpringerMaterials Properties	Viscosity
香料	Fragrance Ingredient (Piperine) -> IFRA transparency List
食品添加物	FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
香味料	EU Flavoring substances
溶解度	0.04 mg/mL at 18 °CVery slightly soluble in waterSoluble in ether, oilsSoluble (in ethanol)
Human Drugs	Breast FeedingLactationMilk, HumanCytochrome P-450 Enzyme Inhibitors
沸点	498.00 to 499.00 °C. @ 760.00 mm Hg498.5±40.0 °C(Predicted)
融点	129 °C
蒸気圧	0.00000013 [mmHg]
Physical Description	Light yellow to yellow solid with a pungent odor[Reference #1] Light yellow solid[Sigma-Aldrich MSDS]Virtually colourless white crystalsAroma reminiscent of pepper
密度	1.211±0.06 g/cm3(Predicted)
貯蔵条件	Store at room temperature
pKa（酸解離定数）	-0.71±0.20(Predicted)
InChI	InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2
InChIKey	MXXWOMGUGJBKIW-UHFFFAOYSA-N
SMILES	C(N1CCCCC1)(=O)C=CC=CC1=CC=C2OCOC2=C1
LogP（分配係数）	3.365 (est)

安全性と法規制

GHS 分類	DangerH301 (93.4%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1804 reports by companies from 7 notifications to the ECHA C&L Inventory.
規制情報	Chemical: Piperidine, 1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-, (E,E)-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Piperine: Does not have an individual approval but may be used under an appropriate group standard
有害性の概要	A mild skin and eye irritant[Reference #1] Safe when used as a flavoring agent in food[JECFA] May cause irritationHarmful by ingestion[Sigma-Aldrich MSDS]
Hazard Classes and Categories	Acute Tox. 3 (93.4%)
Effects During Pregnancy and Lactation	◉ Summary of Use during Lactation

1-[5-(1,3-ベンゾジオキソール-5-イル)-1-オキソ-2,4-ペンタジエニル]ピペリジン

識別子と物理属性

CAS No.

7780-20-3

分子式

C17H19NO3

平均分子量

285.34 g/mol

単同位体質量

285.13649347 g/mol

SMILES

O=C(/C=C/C=C/c1ccc2c(c1)OCO2)N1CCCCC1

InChIKey

MXXWOMGUGJBKIW-YPCIICBESA-N

PubChem CID

638024

ChEMBL

CHEMBL43185

ChEBI

CHEBI:28821

EC No.

202-348-0

DTXSID

DTXSID3021805

現地名

1-[5-(1,3-ベンゾジオキソール-5-イル)-1-オキソ-2,4-ペンタジエニル]ピペリジン

化学・物理的性質

XLogP

3.5

極性表面積

38.8

水素結合供与体数

水素結合受容体数

回転可能結合数

重原子数

形式電荷

複雑度

412

物質分類

Other Uses -> Food Additives

医薬品

Pharmaceuticals -> Listed in ZINC15

SpringerMaterials Properties

Viscosity

香料

Fragrance Ingredient (Piperine) -> IFRA transparency List

食品添加物

FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

香味料

EU Flavoring substances

溶解度

0.04 mg/mL at 18 °CVery slightly soluble in waterSoluble in ether, oilsSoluble (in ethanol)

Human Drugs

Breast FeedingLactationMilk, HumanCytochrome P-450 Enzyme Inhibitors

沸点

498.00 to 499.00 °C. @ 760.00 mm Hg498.5±40.0 °C(Predicted)

融点

129 °C

蒸気圧

0.00000013 [mmHg]

Physical Description

Light yellow to yellow solid with a pungent odor[Reference #1] Light yellow solid[Sigma-Aldrich MSDS]Virtually colourless white crystalsAroma reminiscent of pepper

密度

1.211±0.06 g/cm3(Predicted)

貯蔵条件

Store at room temperature

pKa（酸解離定数）

-0.71±0.20(Predicted)

InChI

InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2

InChIKey

MXXWOMGUGJBKIW-UHFFFAOYSA-N

SMILES

C(N1CCCCC1)(=O)C=CC=CC1=CC=C2OCOC2=C1

LogP（分配係数）

3.365 (est)

安全性と法規制

GHS 分類

DangerH301 (93.4%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1804 reports by companies from 7 notifications to the ECHA C&L Inventory.

規制情報

Chemical: Piperidine, 1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-, (E,E)-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Piperine: Does not have an individual approval but may be used under an appropriate group standard

有害性の概要

A mild skin and eye irritant[Reference #1] Safe when used as a flavoring agent in food[JECFA] May cause irritationHarmful by ingestion[Sigma-Aldrich MSDS]

Hazard Classes and Categories

Acute Tox. 3 (93.4%)

Effects During Pregnancy and Lactation

◉ Summary of Use during Lactation