2-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-2-yl]ethanol

C14H19ClFNO — CID 60690062

IUPAC2-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1Cc1c(F)cccc1Cl
InChIInChI=1S/C14H19ClFNO/c15-13-5-3-6-14(16)12(13)10-17-8-2-1-4-11(17)7-9-18/h3,5-6,11,18H,1-2,4,7-10H2
InChIKeyXDPBLWDOWOCAOX-UHFFFAOYSA-N
MW271.76 g/mol
LogP3.22
Rot. Bonds4

About 2-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-2-yl]ethanol

2-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-2-yl]ethanol (PubChem CID 60690062) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is 2-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-2-yl]ethanol
PubChem CID60690062
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC Name2-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1Cc1c(F)cccc1Cl
InChIInChI=1S/C14H19ClFNO/c15-13-5-3-6-14(16)12(13)10-17-8-2-1-4-11(17)7-9-18/h3,5-6,11,18H,1-2,4,7-10H2
InChIKeyXDPBLWDOWOCAOX-UHFFFAOYSA-N
XLogP3.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-2-yl]ethanol 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

2-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-2-yl]ethanol
CID 113345056
2-[(2S)-1-[(2-chloro-6-fluorophenyl)methyl]piperazin-2-yl]ethanol
CID 7380586
[1-[(2,6-difluorophenyl)methyl]azepan-2-yl]methanol
CID 114933196
(2S)-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-2-carboxylic acid
CID 86310024
(2R)-1-[(2,6-difluorophenyl)methyl]-2-ethylpiperidine
CID 870763
2-[(2S)-4-[(2-chloro-6-fluorophenyl)methyl]-1-methylpiperazin-2-yl]ethanol
CID 92770253
[(2S)-1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methanamine
CID 29080623
(2R)-1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119914097
3-chloro-2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenol
CID 115882280
2-[(2R)-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]piperidin-2-yl]ethanol
CID 96516180
methyl (2S)-1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine-2-carboxylate
CID 30980101
2-fluoro-3-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile
CID 103886136

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-2-yl]ethanol (CID 60690062) is 2-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-2-yl]ethanol is OCCC1CCCCN1Cc1c(F)cccc1Cl.
What is the InChIKey of 2-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-2-yl]ethanol?
The InChIKey is XDPBLWDOWOCAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c15-13-5-3-6-14(16)12(13)10-17-8-2-1-4-11(17)7-9-18/h3,5-6,11,18H,1-2,4,7-10H2.
What are the key properties of 2-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-2-yl]ethanol?
2-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-2-yl]ethanol has a molecular weight of 271.76 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 60690062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).