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1-(Azetidin-3-YL)-4,4-difluoropiperidine

HCID 59605315
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
1257293-83-6
Standard SMILES
FC1(F)CCN(C2CNC2)CC1
InChIKey
OIQJXEUDXZJIRR-UHFFFAOYSA-N
Molecular formula
C8H14F2N2
Average molar mass
176.21 g/mol
Monoisotopic mass
176.11250478

Names & identifiers

Preferred name
1-(Azetidin-3-YL)-4,4-difluoropiperidine
IUPAC
1-(azetidin-3-yl)-4,4-difluoropiperidine
English name
1-(azetidin-3-yl)-4,4-difluoropiperidine
Molecular formula
C8H14F2N2
Molecular weight
176.21

Names & synonyms

1257293-83-61-(AZETIDIN-3-YL)-4,4-DIFLUOROPIPERIDINE1-(3-Azetidinyl)-4,4-difluoro-piperidineMFCD22123272C8H14F2N2PIPERIDINE, 1-(3-AZETIDINYL)-4,4-DIFLUORO-1-(azetidin-3-yl)-4,4-difluoro-piperidine1-(3-Azetidinyl)-4,4-difluoropiperidineSCHEMBL2272753DTXSID601278842CS2208AKOS024015618
Show more names
tert-butyl 3-(4,4-difluoropiperidin-1-yl)azetidine-1-carboxylate1-(Azetidin-3-yl)-4,4-difluoropiperidine ditrifluoroacetic acid salt3-(4,4-Difluoropiperidin-1-yl)azetidine, 3-(4,4-Difluoropiperidin-1-yl)azetane
PB272901-Azetidin-3-yl-4,4-difluoropiperidineAS-788231-(Azetidin-3-yl)-44-difluoropiperidineDB-406529CS-0036636EN300-3004021A1-24206

Database identifiers

CAS
1257293-83-6
PubChem CID
59605315
DTXSID
DTXSID601278842

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
15.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
12
Formal charge
0
Complexity
158

Physicochemical properties

Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302+H312+H332-H315-H319-H335
Precautionary statements
280 · P280
HS Code
2933399990 · 2933399990

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

hs_code
2933399990
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302+H312+H332-H315-H319-H335
Precautionary statements
P280

Chemistry & industry

Suppliers19 total

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
常州宣叶科技有限公司15195022192 · [email protected]
合肥恩立医药科技有限公司0551-66399836 18955197623 · [email protected]
广州康瑞泰药业有限公司020-82185713,82185709 13418171485 · [email protected]
斯派螺(武汉)药物研发有限公司[email protected]
南通华祥医药科技有限公司+86-15716293042 15716293042 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
泰迩生物医药泰州有限公司052386810091 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
艾览(上海)化工科技有限公司400-668-9898 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]

Related reactions

9 records
New reaction record
HRID 176701 reaction equation
HRID 176701As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 319650 reaction equation
HRID 319650As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 1043593 reaction equation
HRID 1043593As reactantuspto-grants-2013_10
HRID 1229363 reaction equation
HRID 1229363As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1922673 reaction equation
HRID 1922673As productuspto-grants-2012_05
HRID 1923185 reaction equation
HRID 1923185As reactantuspto-grants-2012_05
HRID 1945523 reaction equation
HRID 1945523As productuspto-grants-2013_03
HRID 1946005 reaction equation
HRID 1946005As reactantuspto-grants-2013_03
Page 1 of 2

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Hefei Hirisun Pharmatech Co., Ltd+8615056975894 · [email protected]
山西诺诚生物科技有限公司17835231871 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
常州优瑞医药科技有限公司18168818882 · [email protected]
CD Chemical Group Limited+86-13651442114 · [email protected]