(3S,4R)-1-(benzenesulfonyl)-3-benzyl-4-methylpiperidin-4-ol

C19H23NO3S — CID 56751913

IUPAC(3S,4R)-1-(benzenesulfonyl)-3-benzyl-4-methylpiperidin-4-ol
SMILESC[C@@]1(O)CCN(S(=O)(=O)c2ccccc2)C[C@@H]1Cc1ccccc1
InChIInChI=1S/C19H23NO3S/c1-19(21)12-13-20(24(22,23)18-10-6-3-7-11-18)15-17(19)14-16-8-4-2-5-9-16/h2-11,17,21H,12-15H2,1H3/t17-,19+/m0/s1
InChIKeyBZOHXBCKCWVHOR-PKOBYXMFSA-N
MW345.46 g/mol
LogP2.69
Rot. Bonds4

About (3S,4R)-1-(benzenesulfonyl)-3-benzyl-4-methylpiperidin-4-ol

(3S,4R)-1-(benzenesulfonyl)-3-benzyl-4-methylpiperidin-4-ol (PubChem CID 56751913) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is (3S,4R)-1-(benzenesulfonyl)-3-benzyl-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name(3S,4R)-1-(benzenesulfonyl)-3-benzyl-4-methylpiperidin-4-ol
PubChem CID56751913
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name(3S,4R)-1-(benzenesulfonyl)-3-benzyl-4-methylpiperidin-4-ol
SMILESC[C@@]1(O)CCN(S(=O)(=O)c2ccccc2)C[C@@H]1Cc1ccccc1
InChIInChI=1S/C19H23NO3S/c1-19(21)12-13-20(24(22,23)18-10-6-3-7-11-18)15-17(19)14-16-8-4-2-5-9-16/h2-11,17,21H,12-15H2,1H3/t17-,19+/m0/s1
InChIKeyBZOHXBCKCWVHOR-PKOBYXMFSA-N
XLogP2.69
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfonyl)-4,4-dimethylpiperidine
CID 58376409
4-[[(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]methyl]benzoic acid
CID 56758982
1-(benzenesulfonyl)-4-methylazepan-4-ol
CID 107407045
1-(benzenesulfonyl)-3,3-dimethylpyrrolidine
CID 13427462
(2R,3S)-1-(benzenesulfonyl)-3-methyl-2-(phenylmethoxymethyl)pyrrolidin-3-ol
CID 66933196
(3R,4S)-3-benzyl-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-methylpiperidin-4-ol
CID 133111175
[1-(benzenesulfonyl)-4-[(dimethylamino)methyl]piperidin-4-yl]methanol
CID 137334939
(3S)-1-(benzenesulfonyl)-N,N-dimethylpyrrolidin-3-amine
CID 141202657
1-[(3R,4S)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 164640659
N-[(1-benzyl-4-hydroxy-4-methylpiperidin-3-yl)methyl]methanesulfonamide
CID 139343550
1-[(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
CID 56750877
(2S)-2-benzyl-1,4,7,10-tetrakis-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 124870685

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-(benzenesulfonyl)-3-benzyl-4-methylpiperidin-4-ol?
The IUPAC name of (3S,4R)-1-(benzenesulfonyl)-3-benzyl-4-methylpiperidin-4-ol (CID 56751913) is (3S,4R)-1-(benzenesulfonyl)-3-benzyl-4-methylpiperidin-4-ol.
What is the SMILES notation for (3S,4R)-1-(benzenesulfonyl)-3-benzyl-4-methylpiperidin-4-ol?
The canonical SMILES for (3S,4R)-1-(benzenesulfonyl)-3-benzyl-4-methylpiperidin-4-ol is C[C@@]1(O)CCN(S(=O)(=O)c2ccccc2)C[C@@H]1Cc1ccccc1.
What is the InChIKey of (3S,4R)-1-(benzenesulfonyl)-3-benzyl-4-methylpiperidin-4-ol?
The InChIKey is BZOHXBCKCWVHOR-PKOBYXMFSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-19(21)12-13-20(24(22,23)18-10-6-3-7-11-18)15-17(19)14-16-8-4-2-5-9-16/h2-11,17,21H,12-15H2,1H3/t17-,19+/m0/s1.
What are the key properties of (3S,4R)-1-(benzenesulfonyl)-3-benzyl-4-methylpiperidin-4-ol?
(3S,4R)-1-(benzenesulfonyl)-3-benzyl-4-methylpiperidin-4-ol has a molecular weight of 345.46 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-(benzenesulfonyl)-3-benzyl-4-methylpiperidin-4-ol is sourced from PubChem (CID 56751913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).