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

C13H17F2NO — CID 56753257

IUPAC[3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol
SMILESOCC1(Cc2ccc(F)cc2F)CCCNC1
InChIInChI=1S/C13H17F2NO/c14-11-3-2-10(12(15)6-11)7-13(9-17)4-1-5-16-8-13/h2-3,6,16-17H,1,4-5,7-9H2
InChIKeyKCJYBWXZEKSFRR-UHFFFAOYSA-N
MW241.28 g/mol
LogP1.87
Rot. Bonds3

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

[3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol (PubChem CID 56753257) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is [3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol
PubChem CID56753257
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name[3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol
SMILESOCC1(Cc2ccc(F)cc2F)CCCNC1
InChIInChI=1S/C13H17F2NO/c14-11-3-2-10(12(15)6-11)7-13(9-17)4-1-5-16-8-13/h2-3,6,16-17H,1,4-5,7-9H2
InChIKeyKCJYBWXZEKSFRR-UHFFFAOYSA-N
XLogP1.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[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-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 103051183
3-[(2,4-difluorophenyl)methyl]-3-ethylazetidine
CID 79451763
3-[(2,4-difluorophenyl)methyl]-3-propylazetidine
CID 79451436
ethyl (3S)-3-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate
CID 95207559
[3-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]methanol
CID 66060007
[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
3-[(2-bromo-4-fluorophenyl)methyl]piperidin-3-ol
CID 65145893
3-[(4-bromo-2-fluorophenyl)methyl]piperidine-3-carboxylic acid
CID 63132459

Frequently Asked Questions

What is the IUPAC name of [3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol (CID 56753257) is [3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol is OCC1(Cc2ccc(F)cc2F)CCCNC1.
What is the InChIKey of [3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol?
The InChIKey is KCJYBWXZEKSFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c14-11-3-2-10(12(15)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-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol?
[3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol has a molecular weight of 241.28 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 56753257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).