[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]methanol

C13H17F2NO3S — CID 47054198

IUPAC[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]methanol
SMILESO=S(=O)(c1ccc(N2CCC(CO)CC2)cc1)C(F)F
InChIInChI=1S/C13H17F2NO3S/c14-13(15)20(18,19)12-3-1-11(2-4-12)16-7-5-10(9-17)6-8-16/h1-4,10,13,17H,5-9H2
InChIKeyLNLBWTZTYXXHKT-UHFFFAOYSA-N
MW305.35 g/mol
LogP1.89
Rot. Bonds4

About [1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]methanol

[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]methanol (PubChem CID 47054198) has the molecular formula C13H17F2NO3S and a molecular weight of 305.35 g/mol. Its IUPAC name is [1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]methanol
PubChem CID47054198
Molecular FormulaC13H17F2NO3S
Molecular Weight305.35 g/mol
Exact Mass305.09
IUPAC Name[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]methanol
SMILESO=S(=O)(c1ccc(N2CCC(CO)CC2)cc1)C(F)F
InChIInChI=1S/C13H17F2NO3S/c14-13(15)20(18,19)12-3-1-11(2-4-12)16-7-5-10(9-17)6-8-16/h1-4,10,13,17H,5-9H2
InChIKeyLNLBWTZTYXXHKT-UHFFFAOYSA-N
XLogP1.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[4-(difluoromethylsulfonyl)phenyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63267403
4-[4-(hydroxymethyl)piperidin-1-yl]-N-methylbenzenesulfonamide
CID 61146860
1-[4-(difluoromethylsulfonyl)phenyl]-4-imidazol-1-ylpiperidine
CID 133301034
N-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-4-fluorobenzamide
CID 47053580
2-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-1H-indole
CID 56799944
[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methanol
CID 169180436
1-[4-(difluoromethylsulfonyl)phenyl]-N-propylpiperidine-3-carboxamide
CID 49431230
N-cyclopentyl-2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]propanamide
CID 133287695
1-[4-(difluoromethylsulfonyl)phenyl]-3-ethoxypiperidine
CID 133274305
4-[4-[4-(difluoromethylsulfonyl)phenyl]-1,4-diazepan-1-yl]benzonitrile
CID 51119674
1-[4-(difluoromethylsulfonyl)phenyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55921499
1-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-2-ethylbenzimidazole
CID 133445355

Frequently Asked Questions

What is the IUPAC name of [1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]methanol (CID 47054198) is [1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]methanol is O=S(=O)(c1ccc(N2CCC(CO)CC2)cc1)C(F)F.
What is the InChIKey of [1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]methanol?
The InChIKey is LNLBWTZTYXXHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO3S/c14-13(15)20(18,19)12-3-1-11(2-4-12)16-7-5-10(9-17)6-8-16/h1-4,10,13,17H,5-9H2.
What are the key properties of [1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]methanol?
[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]methanol has a molecular weight of 305.35 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]methanol is sourced from PubChem (CID 47054198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).