2-chloro-2-piperidin-3-ylideneethanol

C7H12ClNO — CID 68525104

IUPAC2-chloro-2-piperidin-3-ylideneethanol
SMILESOCC(Cl)=C1CCCNC1
InChIInChI=1S/C7H12ClNO/c8-7(5-10)6-2-1-3-9-4-6/h9-10H,1-5H2
InChIKeyHZXZGJMCHLIHKC-UHFFFAOYSA-N
MW161.63 g/mol
LogP0.86
Rot. Bonds1

About 2-chloro-2-piperidin-3-ylideneethanol

2-chloro-2-piperidin-3-ylideneethanol (PubChem CID 68525104) has the molecular formula C7H12ClNO and a molecular weight of 161.63 g/mol. Its IUPAC name is 2-chloro-2-piperidin-3-ylideneethanol.

Molecular Properties

Compound Name2-chloro-2-piperidin-3-ylideneethanol
PubChem CID68525104
Molecular FormulaC7H12ClNO
Molecular Weight161.63 g/mol
Exact Mass161.06
IUPAC Name2-chloro-2-piperidin-3-ylideneethanol
SMILESOCC(Cl)=C1CCCNC1
InChIInChI=1S/C7H12ClNO/c8-7(5-10)6-2-1-3-9-4-6/h9-10H,1-5H2
InChIKeyHZXZGJMCHLIHKC-UHFFFAOYSA-N
XLogP0.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.63
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Fluoro-2-(piperidin-3-ylidene)ethan-1-ol
CID 68524028
(2E)-2-Fluoro-2-piperidin-3-ylideneethanol
CID 68525091
2-Fluoro-2-piperidin-4-ylideneethanol
CID 68690505
2-fluoro-2-(piperidin-3-ylidene)ethan-1-ol, Mixture of isomers
CID 68524035
CID 89172821
CID 89172821
CID 89172825
CID 89172825
(2E)-2-piperidin-3-ylideneethanol
CID 115011142
2-Piperidin-3-ylideneethanol
CID 131343397
(2Z)-2-piperidin-3-ylideneethanol
CID 143995830
(2Z)-2-chloro-2-piperidin-3-ylideneethanol
CID 68525093
2-(Piperidin-4-ylidene)ethan-1-ol hydrochloride
CID 137964353

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-piperidin-3-ylideneethanol?
The IUPAC name of 2-chloro-2-piperidin-3-ylideneethanol (CID 68525104) is 2-chloro-2-piperidin-3-ylideneethanol.
What is the SMILES notation for 2-chloro-2-piperidin-3-ylideneethanol?
The canonical SMILES for 2-chloro-2-piperidin-3-ylideneethanol is OCC(Cl)=C1CCCNC1.
What is the InChIKey of 2-chloro-2-piperidin-3-ylideneethanol?
The InChIKey is HZXZGJMCHLIHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClNO/c8-7(5-10)6-2-1-3-9-4-6/h9-10H,1-5H2.
What are the key properties of 2-chloro-2-piperidin-3-ylideneethanol?
2-chloro-2-piperidin-3-ylideneethanol has a molecular weight of 161.63 g/mol, XLogP of 0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-piperidin-3-ylideneethanol is sourced from PubChem (CID 68525104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).