[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanol

C13H18ClNO — CID 23992088

IUPAC[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1Cc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO/c14-12-6-4-11(5-7-12)9-15-8-2-1-3-13(15)10-16/h4-7,13,16H,1-3,8-10H2
InChIKeyJBWCXKGQDMBBCO-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.69
Rot. Bonds3

About [1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanol

[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanol (PubChem CID 23992088) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanol
PubChem CID23992088
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1Cc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO/c14-12-6-4-11(5-7-12)9-15-8-2-1-3-13(15)10-16/h4-7,13,16H,1-3,8-10H2
InChIKeyJBWCXKGQDMBBCO-UHFFFAOYSA-N
XLogP2.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanol (CID 23992088) is [1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanol is OCC1CCCCN1Cc1ccc(Cl)cc1.
What is the InChIKey of [1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanol?
The InChIKey is JBWCXKGQDMBBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c14-12-6-4-11(5-7-12)9-15-8-2-1-3-13(15)10-16/h4-7,13,16H,1-3,8-10H2.
What are the key properties of [1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanol?
[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanol has a molecular weight of 239.75 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanol is sourced from PubChem (CID 23992088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).