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

C13H17F2NO — CID 60968324

IUPAC[1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1Cc1cccc(F)c1F
InChIInChI=1S/C13H17F2NO/c14-12-6-3-4-10(13(12)15)8-16-7-2-1-5-11(16)9-17/h3-4,6,11,17H,1-2,5,7-9H2
InChIKeyIVBJXQWNPXXTDT-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.31
Rot. Bonds3

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

[1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]methanol (PubChem CID 60968324) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is [1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]methanol
PubChem CID60968324
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name[1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1Cc1cccc(F)c1F
InChIInChI=1S/C13H17F2NO/c14-12-6-3-4-10(13(12)15)8-16-7-2-1-5-11(16)9-17/h3-4,6,11,17H,1-2,5,7-9H2
InChIKeyIVBJXQWNPXXTDT-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 62016121
2-(2-bromoethyl)-1-[(2,3-difluorophenyl)methyl]piperidine
CID 80671783
[1-[(2,6-difluorophenyl)methyl]azepan-2-yl]methanol
CID 114933196
2-fluoro-3-[[2-(hydroxymethyl)azepan-1-yl]methyl]benzenecarbothioamide
CID 107115714
[(2R)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 104794526
1-[(2,3-difluorophenyl)methyl]piperidine-2-carboxylic acid
CID 43659073
[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-2-yl]methanol
CID 103881513
2-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-2-yl]ethanol
CID 113345056
[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]methanol
CID 796363
[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanol
CID 3116751
[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-2-yl]methanol
CID 60684893
methyl 1-[(2,3-difluorophenyl)methyl]piperidine-2-carboxylate
CID 113219671

Frequently Asked Questions

What is the IUPAC name of [1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]methanol (CID 60968324) is [1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]methanol is OCC1CCCCN1Cc1cccc(F)c1F.
What is the InChIKey of [1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]methanol?
The InChIKey is IVBJXQWNPXXTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c14-12-6-3-4-10(13(12)15)8-16-7-2-1-5-11(16)9-17/h3-4,6,11,17H,1-2,5,7-9H2.
What are the key properties of [1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]methanol?
[1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]methanol has a molecular weight of 241.28 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]methanol is sourced from PubChem (CID 60968324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).