(2Z)-2-chloro-2-piperidin-3-ylideneethanol

C7H12ClNO — CID 68525093

IUPAC(2Z)-2-chloro-2-piperidin-3-ylideneethanol
SMILESOC/C(Cl)=C1\CCCNC1
InChIInChI=1S/C7H12ClNO/c8-7(5-10)6-2-1-3-9-4-6/h9-10H,1-5H2/b7-6-
InChIKeyHZXZGJMCHLIHKC-SREVYHEPSA-N
MW161.63 g/mol
LogP0.86
Rot. Bonds1

About (2Z)-2-chloro-2-piperidin-3-ylideneethanol

(2Z)-2-chloro-2-piperidin-3-ylideneethanol (PubChem CID 68525093) has the molecular formula C7H12ClNO and a molecular weight of 161.63 g/mol. Its IUPAC name is (2Z)-2-chloro-2-piperidin-3-ylideneethanol.

Molecular Properties

Compound Name(2Z)-2-chloro-2-piperidin-3-ylideneethanol
PubChem CID68525093
Molecular FormulaC7H12ClNO
Molecular Weight161.63 g/mol
Exact Mass161.06
IUPAC Name(2Z)-2-chloro-2-piperidin-3-ylideneethanol
SMILESOC/C(Cl)=C1\CCCNC1
InChIInChI=1S/C7H12ClNO/c8-7(5-10)6-2-1-3-9-4-6/h9-10H,1-5H2/b7-6-
InChIKeyHZXZGJMCHLIHKC-SREVYHEPSA-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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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-chloro-2-piperidin-3-ylideneethanol?
The IUPAC name of (2Z)-2-chloro-2-piperidin-3-ylideneethanol (CID 68525093) is (2Z)-2-chloro-2-piperidin-3-ylideneethanol.
What is the SMILES notation for (2Z)-2-chloro-2-piperidin-3-ylideneethanol?
The canonical SMILES for (2Z)-2-chloro-2-piperidin-3-ylideneethanol is OC/C(Cl)=C1\CCCNC1.
What is the InChIKey of (2Z)-2-chloro-2-piperidin-3-ylideneethanol?
The InChIKey is HZXZGJMCHLIHKC-SREVYHEPSA-N. The full InChI is InChI=1S/C7H12ClNO/c8-7(5-10)6-2-1-3-9-4-6/h9-10H,1-5H2/b7-6-.
What are the key properties of (2Z)-2-chloro-2-piperidin-3-ylideneethanol?
(2Z)-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 (2Z)-2-chloro-2-piperidin-3-ylideneethanol is sourced from PubChem (CID 68525093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).