(3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-ol

C12H15F2NO — CID 107225646

IUPAC(3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-ol
SMILESO[C@H]1CCCN(Cc2cc(F)cc(F)c2)C1
InChIInChI=1S/C12H15F2NO/c13-10-4-9(5-11(14)6-10)7-15-3-1-2-12(16)8-15/h4-6,12,16H,1-3,7-8H2/t12-/m0/s1
InChIKeyMRJYIXZPBNGKLO-LBPRGKRZSA-N
MW227.25 g/mol
LogP1.92
Rot. Bonds2

About (3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-ol

(3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-ol (PubChem CID 107225646) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is (3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-ol
PubChem CID107225646
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name(3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-ol
SMILESO[C@H]1CCCN(Cc2cc(F)cc(F)c2)C1
InChIInChI=1S/C12H15F2NO/c13-10-4-9(5-11(14)6-10)7-15-3-1-2-12(16)8-15/h4-6,12,16H,1-3,7-8H2/t12-/m0/s1
InChIKeyMRJYIXZPBNGKLO-LBPRGKRZSA-N
XLogP1.92
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,5-difluorophenyl)methyl]azetidin-3-ol
CID 105407824
1-[(2,6-dichloro-4-pyridinyl)methyl]piperidin-3-ol
CID 110904761
(3S)-1-[(3-bromo-5-fluorophenyl)methyl]pyrrolidin-3-ol
CID 79673830
1-[(3-amino-5-fluorophenyl)methyl]pyrrolidin-3-ol
CID 112646139
(3S)-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidin-3-ol
CID 107226173
1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-ol
CID 2838185
1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol
CID 24904753
(3S)-1-[(4-ethylphenyl)methyl]piperidin-3-ol
CID 27055523
1-[(3-methylphenyl)methyl]piperidin-3-ol
CID 23792038
2-fluoro-5-[(3-hydroxypiperidin-1-yl)methyl]benzenecarbothioamide
CID 107879245
1-[(2-bromo-5-fluorophenyl)methyl]piperidin-3-ol
CID 62021902
1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-ol
CID 5180021

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-ol?
The IUPAC name of (3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-ol (CID 107225646) is (3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-ol is O[C@H]1CCCN(Cc2cc(F)cc(F)c2)C1.
What is the InChIKey of (3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-ol?
The InChIKey is MRJYIXZPBNGKLO-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H15F2NO/c13-10-4-9(5-11(14)6-10)7-15-3-1-2-12(16)8-15/h4-6,12,16H,1-3,7-8H2/t12-/m0/s1.
What are the key properties of (3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-ol?
(3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-ol has a molecular weight of 227.25 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-ol is sourced from PubChem (CID 107225646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).