(3S)-1-(2,2-difluoro-2-phenylethyl)piperidin-3-ol

C13H17F2NO — CID 107225794

IUPAC(3S)-1-(2,2-difluoro-2-phenylethyl)piperidin-3-ol
SMILESO[C@H]1CCCN(CC(F)(F)c2ccccc2)C1
InChIInChI=1S/C13H17F2NO/c14-13(15,11-5-2-1-3-6-11)10-16-8-4-7-12(17)9-16/h1-3,5-6,12,17H,4,7-10H2/t12-/m0/s1
InChIKeyOCCKCEFCOFDSAR-LBPRGKRZSA-N
MW241.28 g/mol
LogP2.24
Rot. Bonds3

About (3S)-1-(2,2-difluoro-2-phenylethyl)piperidin-3-ol

(3S)-1-(2,2-difluoro-2-phenylethyl)piperidin-3-ol (PubChem CID 107225794) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is (3S)-1-(2,2-difluoro-2-phenylethyl)piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(2,2-difluoro-2-phenylethyl)piperidin-3-ol
PubChem CID107225794
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name(3S)-1-(2,2-difluoro-2-phenylethyl)piperidin-3-ol
SMILESO[C@H]1CCCN(CC(F)(F)c2ccccc2)C1
InChIInChI=1S/C13H17F2NO/c14-13(15,11-5-2-1-3-6-11)10-16-8-4-7-12(17)9-16/h1-3,5-6,12,17H,4,7-10H2/t12-/m0/s1
InChIKeyOCCKCEFCOFDSAR-LBPRGKRZSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzylpiperidin-3-ol
CID 85773
1-(2-Phenylethyl)-4-piperidinol
CID 77055
1-(2-Phenylpropyl)piperidin-4-ol
CID 2846178
1-Benzylpiperidin-4-ol
CID 78461
(1-Benzylpiperidin-4-yl)methanol
CID 736802
(1R,6R)-6-(4-phenylpiperidin-1-yl)cyclohex-3-en-1-ol
CID 44450421
1-(2-Hydroxy-2-phenylethyl)piperidin-3-ol
CID 4039996
1-(4-Phenyl-piperidin-1-yl)-butan-2-ol
CID 3078235
(R)-(-)-1-Benzyl-3-hydroxypiperidine
CID 693761
trans-(R)-1-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)piperidin-3-ol
CID 53322820
trans-(1S,2S)-2-[methyl(2-phenylethyl)amino]cyclohexan-1-ol
CID 71769139
3-(4-Benzylpiperidin-1-yl)-1,1,1-trifluoropropan-2-ol
CID 3811822

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,2-difluoro-2-phenylethyl)piperidin-3-ol?
The IUPAC name of (3S)-1-(2,2-difluoro-2-phenylethyl)piperidin-3-ol (CID 107225794) is (3S)-1-(2,2-difluoro-2-phenylethyl)piperidin-3-ol.
What is the SMILES notation for (3S)-1-(2,2-difluoro-2-phenylethyl)piperidin-3-ol?
The canonical SMILES for (3S)-1-(2,2-difluoro-2-phenylethyl)piperidin-3-ol is O[C@H]1CCCN(CC(F)(F)c2ccccc2)C1.
What is the InChIKey of (3S)-1-(2,2-difluoro-2-phenylethyl)piperidin-3-ol?
The InChIKey is OCCKCEFCOFDSAR-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17F2NO/c14-13(15,11-5-2-1-3-6-11)10-16-8-4-7-12(17)9-16/h1-3,5-6,12,17H,4,7-10H2/t12-/m0/s1.
What are the key properties of (3S)-1-(2,2-difluoro-2-phenylethyl)piperidin-3-ol?
(3S)-1-(2,2-difluoro-2-phenylethyl)piperidin-3-ol has a molecular weight of 241.28 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,2-difluoro-2-phenylethyl)piperidin-3-ol is sourced from PubChem (CID 107225794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).