[3-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]methanol

C13H17ClFNO — CID 103051183

IUPAC[3-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]methanol
SMILESOCC1(Cc2cc(Cl)ccc2F)CCCNC1
InChIInChI=1S/C13H17ClFNO/c14-11-2-3-12(15)10(6-11)7-13(9-17)4-1-5-16-8-13/h2-3,6,16-17H,1,4-5,7-9H2
InChIKeyHQNAPSTXYDXHDI-UHFFFAOYSA-N
MW257.74 g/mol
LogP2.38
Rot. Bonds3

About [3-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]methanol

[3-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]methanol (PubChem CID 103051183) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is [3-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]methanol
PubChem CID103051183
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC Name[3-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]methanol
SMILESOCC1(Cc2cc(Cl)ccc2F)CCCNC1
InChIInChI=1S/C13H17ClFNO/c14-11-2-3-12(15)10(6-11)7-13(9-17)4-1-5-16-8-13/h2-3,6,16-17H,1,4-5,7-9H2
InChIKeyHQNAPSTXYDXHDI-UHFFFAOYSA-N
XLogP2.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [3-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol
CID 56753257
[3-[(2,5-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 66057552
[3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol;hydrochloride
CID 154892250
[3-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 114349812
3-[(2-fluorophenyl)methyl]-3-(methoxymethyl)piperidine
CID 67983211
[3-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]methanol
CID 66060007
[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanol
CID 66025200
4-[(5-chloro-2-fluorophenyl)methyl]-4-fluoropiperidine
CID 103052130
[3-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 66059643
[3-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]methanol
CID 66060227
[3-(hydroxymethyl)piperidin-3-yl]methanol;hydrochloride
CID 146121139
[3-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 114934841

Frequently Asked Questions

What is the IUPAC name of [3-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [3-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]methanol (CID 103051183) is [3-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [3-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [3-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]methanol is OCC1(Cc2cc(Cl)ccc2F)CCCNC1.
What is the InChIKey of [3-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]methanol?
The InChIKey is HQNAPSTXYDXHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO/c14-11-2-3-12(15)10(6-11)7-13(9-17)4-1-5-16-8-13/h2-3,6,16-17H,1,4-5,7-9H2.
What are the key properties of [3-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]methanol?
[3-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]methanol has a molecular weight of 257.74 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 103051183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).