[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]methanol

C13H17F2NO — CID 129380640

IUPAC[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]methanol
SMILESOC[C@H]1CCCN(Cc2c(F)cccc2F)C1
InChIInChI=1S/C13H17F2NO/c14-12-4-1-5-13(15)11(12)8-16-6-2-3-10(7-16)9-17/h1,4-5,10,17H,2-3,6-9H2/t10-/m0/s1
InChIKeyOHOKXFNGAZWBNA-JTQLQIEISA-N
MW241.28 g/mol
LogP2.17
Rot. Bonds3

About [(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]methanol

[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]methanol (PubChem CID 129380640) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is [(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]methanol
PubChem CID129380640
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]methanol
SMILESOC[C@H]1CCCN(Cc2c(F)cccc2F)C1
InChIInChI=1S/C13H17F2NO/c14-12-4-1-5-13(15)11(12)8-16-6-2-3-10(7-16)9-17/h1,4-5,10,17H,2-3,6-9H2/t10-/m0/s1
InChIKeyOHOKXFNGAZWBNA-JTQLQIEISA-N
XLogP2.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(3S)-1-[(2,6-difluorophenyl)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

2-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetic acid
CID 65060111
[1-[(3-bromo-2,6-difluorophenyl)methyl]piperidin-3-yl]methanol
CID 106268333
[1-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 62069119
[1-[2-(aminomethyl)-3-fluorophenyl]piperidin-3-yl]methanol
CID 79516188
[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 60644953
[(3S)-1-[(3-bromo-4-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 40514424
1-[(2-amino-6-fluorophenyl)methyl]piperidin-3-ol
CID 63331097
[(3R)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]methanol
CID 40514299
1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-ol
CID 24905047
[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 62371901
[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methanol
CID 47035132
[(3S)-1-[(2-bromophenyl)methyl]piperidin-3-yl]methanol
CID 40514210

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]methanol (CID 129380640) is [(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]methanol is OC[C@H]1CCCN(Cc2c(F)cccc2F)C1.
What is the InChIKey of [(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]methanol?
The InChIKey is OHOKXFNGAZWBNA-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17F2NO/c14-12-4-1-5-13(15)11(12)8-16-6-2-3-10(7-16)9-17/h1,4-5,10,17H,2-3,6-9H2/t10-/m0/s1.
What are the key properties of [(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]methanol?
[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]methanol has a molecular weight of 241.28 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 129380640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).