1-benzyl-4-(3,5-difluorophenyl)piperidin-4-ol

C18H19F2NO — CID 139966182

IUPAC1-benzyl-4-(3,5-difluorophenyl)piperidin-4-ol
SMILESOC1(c2cc(F)cc(F)c2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H19F2NO/c19-16-10-15(11-17(20)12-16)18(22)6-8-21(9-7-18)13-14-4-2-1-3-5-14/h1-5,10-12,22H,6-9,13H2
InChIKeyGTBSUMITQLKFBJ-UHFFFAOYSA-N
MW303.35 g/mol
LogP3.45
Rot. Bonds3

About 1-benzyl-4-(3,5-difluorophenyl)piperidin-4-ol

1-benzyl-4-(3,5-difluorophenyl)piperidin-4-ol (PubChem CID 139966182) has the molecular formula C18H19F2NO and a molecular weight of 303.35 g/mol. Its IUPAC name is 1-benzyl-4-(3,5-difluorophenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-benzyl-4-(3,5-difluorophenyl)piperidin-4-ol
PubChem CID139966182
Molecular FormulaC18H19F2NO
Molecular Weight303.35 g/mol
Exact Mass303.14
IUPAC Name1-benzyl-4-(3,5-difluorophenyl)piperidin-4-ol
SMILESOC1(c2cc(F)cc(F)c2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H19F2NO/c19-16-10-15(11-17(20)12-16)18(22)6-8-21(9-7-18)13-14-4-2-1-3-5-14/h1-5,10-12,22H,6-9,13H2
InChIKeyGTBSUMITQLKFBJ-UHFFFAOYSA-N
XLogP3.45
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride
CID 71627119
4-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperidin-4-ol
CID 645747
1-benzyl-4-[4-(2-hydroxyethyl)phenyl]piperidin-4-ol
CID 14903438
5-[[3-(1-benzyl-4-hydroxypiperidin-4-yl)-5-fluorophenoxy]methyl]-1,3-dimethylbenzimidazol-2-one
CID 10205769
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
4-(4-fluorophenyl)-1-[[3-(2-methoxyethoxy)phenyl]methyl]piperidin-4-ol
CID 16677696
4-(4-benzylpiperazin-1-yl)-1-(4-fluorophenyl)cyclohexan-1-ol
CID 22122113
1-benzyl-4-(2-phenylethyl)piperidin-4-ol
CID 143477186
1-benzyl-3-[2-[(2,5-difluorophenyl)methyl]phenyl]pyrrolidin-3-ol;hydrobromide
CID 12804773
2-(1-benzyl-4-hydroxypiperidin-4-yl)-2,2-difluoroacetic acid
CID 62399064
9-benzyl-7-(3,5-difluorophenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171958520
N-[1-benzyl-4-(3-fluorophenyl)piperidin-4-yl]acetamide
CID 68830269

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(3,5-difluorophenyl)piperidin-4-ol?
The IUPAC name of 1-benzyl-4-(3,5-difluorophenyl)piperidin-4-ol (CID 139966182) is 1-benzyl-4-(3,5-difluorophenyl)piperidin-4-ol.
What is the SMILES notation for 1-benzyl-4-(3,5-difluorophenyl)piperidin-4-ol?
The canonical SMILES for 1-benzyl-4-(3,5-difluorophenyl)piperidin-4-ol is OC1(c2cc(F)cc(F)c2)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-(3,5-difluorophenyl)piperidin-4-ol?
The InChIKey is GTBSUMITQLKFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO/c19-16-10-15(11-17(20)12-16)18(22)6-8-21(9-7-18)13-14-4-2-1-3-5-14/h1-5,10-12,22H,6-9,13H2.
What are the key properties of 1-benzyl-4-(3,5-difluorophenyl)piperidin-4-ol?
1-benzyl-4-(3,5-difluorophenyl)piperidin-4-ol has a molecular weight of 303.35 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(3,5-difluorophenyl)piperidin-4-ol is sourced from PubChem (CID 139966182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).