[3-(3,4-difluorophenyl)piperidin-2-yl]methanol

C12H15F2NO — CID 117000541

IUPAC[3-(3,4-difluorophenyl)piperidin-2-yl]methanol
SMILESOCC1NCCCC1c1ccc(F)c(F)c1
InChIInChI=1S/C12H15F2NO/c13-10-4-3-8(6-11(10)14)9-2-1-5-15-12(9)7-16/h3-4,6,9,12,15-16H,1-2,5,7H2
InChIKeyFMJCMIUJGWOEOC-UHFFFAOYSA-N
MW227.25 g/mol
LogP1.79
Rot. Bonds2

About [3-(3,4-difluorophenyl)piperidin-2-yl]methanol

[3-(3,4-difluorophenyl)piperidin-2-yl]methanol (PubChem CID 117000541) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is [3-(3,4-difluorophenyl)piperidin-2-yl]methanol.

Molecular Properties

Compound Name[3-(3,4-difluorophenyl)piperidin-2-yl]methanol
PubChem CID117000541
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name[3-(3,4-difluorophenyl)piperidin-2-yl]methanol
SMILESOCC1NCCCC1c1ccc(F)c(F)c1
InChIInChI=1S/C12H15F2NO/c13-10-4-3-8(6-11(10)14)9-2-1-5-15-12(9)7-16/h3-4,6,9,12,15-16H,1-2,5,7H2
InChIKeyFMJCMIUJGWOEOC-UHFFFAOYSA-N
XLogP1.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S,3R)-3-(3-fluorophenyl)pyrrolidin-2-yl]methanol
CID 131114074
(2R,3R)-2-(3,4-difluorophenyl)piperidin-3-amine
CID 54164051
[(2R,3S)-3-phenylpyrrolidin-2-yl]methanol
CID 98008478
[(2R,3S)-3-(3-methoxyphenyl)pyrrolidin-2-yl]methanol
CID 131873349
2-[3-(4-fluoro-3-methylphenyl)pyrrolidin-2-yl]ethanamine
CID 82617253
2-(3-fluoro-4-methylphenyl)cyclopentan-1-ol
CID 2759027
2-(3-ethyl-4-fluorophenyl)pyrrolidine
CID 117284037
(3-methylpiperidin-2-yl)methanol
CID 19898861
(3-pyridin-3-ylpyrrolidin-2-yl)methanol
CID 126982382
(R)-(3,4-difluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 93183518
2-(3,4-difluorophenyl)-N-methyl-N-piperidin-4-ylcyclopropane-1-carboxamide
CID 119443668
2-benzyl-3-(3-chloro-4-fluorophenyl)pyrrolidine
CID 81165823

Frequently Asked Questions

What is the IUPAC name of [3-(3,4-difluorophenyl)piperidin-2-yl]methanol?
The IUPAC name of [3-(3,4-difluorophenyl)piperidin-2-yl]methanol (CID 117000541) is [3-(3,4-difluorophenyl)piperidin-2-yl]methanol.
What is the SMILES notation for [3-(3,4-difluorophenyl)piperidin-2-yl]methanol?
The canonical SMILES for [3-(3,4-difluorophenyl)piperidin-2-yl]methanol is OCC1NCCCC1c1ccc(F)c(F)c1.
What is the InChIKey of [3-(3,4-difluorophenyl)piperidin-2-yl]methanol?
The InChIKey is FMJCMIUJGWOEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c13-10-4-3-8(6-11(10)14)9-2-1-5-15-12(9)7-16/h3-4,6,9,12,15-16H,1-2,5,7H2.
What are the key properties of [3-(3,4-difluorophenyl)piperidin-2-yl]methanol?
[3-(3,4-difluorophenyl)piperidin-2-yl]methanol has a molecular weight of 227.25 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-difluorophenyl)piperidin-2-yl]methanol is sourced from PubChem (CID 117000541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).