3-Piperidinopropiophenone hydrochloride

HCID 70171CAS 886-06-6
Substructure searchFind similar structures

Basic information

Standard SMILES
Cl.O=C(CCN1CCCCC1)c1ccccc1
InChIKey
XIROGEVVNHGHFZ-UHFFFAOYSA-N
Molecular formula
C14H20ClNO
Average molar mass
253.77 g/mol
Monoisotopic mass
253.123342

Names & identifiers

Preferred name
3-Piperidinopropiophenone hydrochloride
IUPAC
1-phenyl-3-piperidin-1-ylpropan-1-one;hydrochloride
English name
1-(2-benzoylethyl)piperidinium chloride
Molecular formula
C14H20ClNO
Molecular weight
253.7677

Names & synonyms

886-06-61-phenyl-3-(piperidin-1-yl)propan-1-one hydrochloride3-Piperidinopropiophenone hydrochloride1-(2-Benzoylethyl)piperidinium chlorideNA 65 hydrochloride1-Propanone, 1-phenyl-3-(1-piperidinyl)-, hydrochlorideN-(2-Benzoylethyl)piperidine hydrochloride3-Piperidinopropiophenone HClbeta-Piperidinopropiophenone hydrochlorideAHK6YP2A9PPropiophenone, 3-piperidino-, hydrochlorideS 220 (VAN)
Show more names
Pridinol impurity BTrihexyphenidyl impurity 6Trihexyphenidyl EP Impurity A HClBenzhexol Impurity 1 Hydrochloride1-Phenyl-3-(piperidin-1-yl)propan-1TrihexylphenidylRelatedCompoundA.HCL-(1-PIPERIDYL)PROPIOPHENONE HYDROCHLORIDE1-PHENYL-3-(PIPERIDIN-1-YL)PROPAN-1-ONE HCL1-phenyl-3-piperidino-propan-1-one hydrochloride
EINECS 212-947-9CV-950NSC 1450131-Phenyl-3-(1-piperidinyl)-1-propanone hydrochloride3-(1-Piperidinyl)propiophenone hydroChloridebeta-(1-Piperidyl)propiophenone hydrochlorideN-(beta-Benzoylethyl)piperidine hydrochloridePropiophenone, beta-piperidino-, hydrochloride

Database identifiers

CAS
886-06-6
PubChem CID
70171
DTXSID
DTXSID60237193
ChEMBL
CHEMBL1301346
UNII
AHK6YP2A9P
EC Number
212-947-9

Properties

Computed structural properties

Topological polar surface area
20.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
17

Physicochemical properties

Melting point
192 · 192-193 °C(Solv: ethanol (64-17-5); acetone (67-64-1))
storage temp.
Sealed in dry,Room Temperature
form
solid
InChI
InChI=1S/C14H19NO.ClH/c16-14(13-7-3-1-4-8-13)9-12-15-10-5-2-6-11-15;/h1,3-4,7-8H,2,5-6,9-12H2;1H
InChIKey
XIROGEVVNHGHFZ-UHFFFAOYSA-N
SMILES
C1(C=CC=CC=1)C(=O)CCN1CCCCC1.Cl

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (92.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (92.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (92.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory InformationStatus: Active Update: 04-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19900
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (92.9%)；Eye Dam. 1 (92.9%)；STOT SE 3 (92.9%)

Regulatory information

Regulatory InformationStatus: Active Update: 04-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19900

Safety data

hs_code
2933399090
Toxicity
LD50 intraperitoneal in mouse: 61mg/kg
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
REACH Registrations
Active

Chemistry & industry

Applications

Uses3-Piperidinopropiophenone is a mono Mannich base derived from acetophenone with antibacterial, antifungal and antitumor activity. 3-Piperidinopropiophenone shows cytotoxicity againts Jurkat cells.

Upstream & downstream products

Downstream products

Suppliers47 total

上海康恩博医药科技有限公司17510465506 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]

Related reactions

2 records
New reaction record

Linked notes

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