[4-(3,5-difluorophenyl)piperidin-2-yl]methanol

C12H15F2NO — CID 117000557

IUPAC[4-(3,5-difluorophenyl)piperidin-2-yl]methanol
SMILESOCC1CC(c2cc(F)cc(F)c2)CCN1
InChIInChI=1S/C12H15F2NO/c13-10-3-9(4-11(14)6-10)8-1-2-15-12(5-8)7-16/h3-4,6,8,12,15-16H,1-2,5,7H2
InChIKeyAJHLNJAWRMZWOJ-UHFFFAOYSA-N
MW227.25 g/mol
LogP1.79
Rot. Bonds2

About [4-(3,5-difluorophenyl)piperidin-2-yl]methanol

[4-(3,5-difluorophenyl)piperidin-2-yl]methanol (PubChem CID 117000557) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is [4-(3,5-difluorophenyl)piperidin-2-yl]methanol.

Molecular Properties

Compound Name[4-(3,5-difluorophenyl)piperidin-2-yl]methanol
PubChem CID117000557
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name[4-(3,5-difluorophenyl)piperidin-2-yl]methanol
SMILESOCC1CC(c2cc(F)cc(F)c2)CCN1
InChIInChI=1S/C12H15F2NO/c13-10-3-9(4-11(14)6-10)8-1-2-15-12(5-8)7-16/h3-4,6,8,12,15-16H,1-2,5,7H2
InChIKeyAJHLNJAWRMZWOJ-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

(3S,4R)-4-(4-Fluorophenyl)-3-piperidinemethanol
CID 9855829
Threo-ritalinol hydrochloride
CID 10726933
(+/-)-threo-3-Fluororitalinol
CID 52947218
(2R)-2-phenyl-2-[(2R)-piperidin-2-yl]ethanol;hydrochloride
CID 16719764
rac-(3R,4R)-4-phenylpiperidin-3-ol
CID 16671922
rac-((3R,4R)-4-phenylpiperidin-3-yl)methanol
CID 59978001
[(3S,4R)-4-(4-Fluorophenyl)-3-piperidinyl]methanol hydrochloride (1:1)
CID 71776877
Drobuline
CID 60890
(2R,3R,6S)-2-methyl-6-(9-phenylnonyl)piperidin-3-ol
CID 10925178
2-(Diphenylmethyl)piperidin-3-ol--hydrogen chloride (1/1)
CID 209476
3-Piperidinol, 2-(alpha-cyclohexylbenzyl)-, hydrochloride
CID 209509
3-(2-Fluorophenyl)-2-(piperidin-1-yl)propan-1-ol--hydrogen chloride (1/1)
CID 3048985

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-difluorophenyl)piperidin-2-yl]methanol?
The IUPAC name of [4-(3,5-difluorophenyl)piperidin-2-yl]methanol (CID 117000557) is [4-(3,5-difluorophenyl)piperidin-2-yl]methanol.
What is the SMILES notation for [4-(3,5-difluorophenyl)piperidin-2-yl]methanol?
The canonical SMILES for [4-(3,5-difluorophenyl)piperidin-2-yl]methanol is OCC1CC(c2cc(F)cc(F)c2)CCN1.
What is the InChIKey of [4-(3,5-difluorophenyl)piperidin-2-yl]methanol?
The InChIKey is AJHLNJAWRMZWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c13-10-3-9(4-11(14)6-10)8-1-2-15-12(5-8)7-16/h3-4,6,8,12,15-16H,1-2,5,7H2.
What are the key properties of [4-(3,5-difluorophenyl)piperidin-2-yl]methanol?
[4-(3,5-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 [4-(3,5-difluorophenyl)piperidin-2-yl]methanol is sourced from PubChem (CID 117000557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).