1-(4-methylphenyl)sulfonyl-4-pyridin-3-ylpiperidin-4-ol

C17H20N2O3S — CID 1446492

IUPAC1-(4-methylphenyl)sulfonyl-4-pyridin-3-ylpiperidin-4-ol
SMILESCc1ccc(S(=O)(=O)N2CCC(O)(c3cccnc3)CC2)cc1
InChIInChI=1S/C17H20N2O3S/c1-14-4-6-16(7-5-14)23(21,22)19-11-8-17(20,9-12-19)15-3-2-10-18-13-15/h2-7,10,13,20H,8-9,11-12H2,1H3
InChIKeyNPDBXXPMKFNYRO-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.06
Rot. Bonds3

About 1-(4-methylphenyl)sulfonyl-4-pyridin-3-ylpiperidin-4-ol

1-(4-methylphenyl)sulfonyl-4-pyridin-3-ylpiperidin-4-ol (PubChem CID 1446492) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-4-pyridin-3-ylpiperidin-4-ol.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-4-pyridin-3-ylpiperidin-4-ol
PubChem CID1446492
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name1-(4-methylphenyl)sulfonyl-4-pyridin-3-ylpiperidin-4-ol
SMILESCc1ccc(S(=O)(=O)N2CCC(O)(c3cccnc3)CC2)cc1
InChIInChI=1S/C17H20N2O3S/c1-14-4-6-16(7-5-14)23(21,22)19-11-8-17(20,9-12-19)15-3-2-10-18-13-15/h2-7,10,13,20H,8-9,11-12H2,1H3
InChIKeyNPDBXXPMKFNYRO-UHFFFAOYSA-N
XLogP2.06
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 11191097
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CID 11225445
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CID 11375115
CID 11375115
CID 11420598
CID 11420598
CID 44565131
CID 44565131
CID 46885546
CID 46885546
CID 44565130
CID 44565130
CID 44565132
CID 44565132
CID 11329380
CID 11329380
CID 22042611
CID 22042611
CID 645330
CID 645330
CID 1446499
CID 1446499

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-4-pyridin-3-ylpiperidin-4-ol?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-4-pyridin-3-ylpiperidin-4-ol (CID 1446492) is 1-(4-methylphenyl)sulfonyl-4-pyridin-3-ylpiperidin-4-ol.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-4-pyridin-3-ylpiperidin-4-ol?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-4-pyridin-3-ylpiperidin-4-ol is Cc1ccc(S(=O)(=O)N2CCC(O)(c3cccnc3)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-4-pyridin-3-ylpiperidin-4-ol?
The InChIKey is NPDBXXPMKFNYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-14-4-6-16(7-5-14)23(21,22)19-11-8-17(20,9-12-19)15-3-2-10-18-13-15/h2-7,10,13,20H,8-9,11-12H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-4-pyridin-3-ylpiperidin-4-ol?
1-(4-methylphenyl)sulfonyl-4-pyridin-3-ylpiperidin-4-ol has a molecular weight of 332.43 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-4-pyridin-3-ylpiperidin-4-ol is sourced from PubChem (CID 1446492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).