(4-chlorophenyl)-(1-methylsulfonylpiperidin-4-yl)-pyridin-3-ylmethanol

C18H21ClN2O3S — CID 56662298

IUPAC(4-chlorophenyl)-(1-methylsulfonylpiperidin-4-yl)-pyridin-3-ylmethanol
SMILESCS(=O)(=O)N1CCC(C(O)(c2ccc(Cl)cc2)c2cccnc2)CC1
InChIInChI=1S/C18H21ClN2O3S/c1-25(23,24)21-11-8-15(9-12-21)18(22,16-3-2-10-20-13-16)14-4-6-17(19)7-5-14/h2-7,10,13,15,22H,8-9,11-12H2,1H3
InChIKeyJJZCZBVWCVYBTR-UHFFFAOYSA-N
MW380.90 g/mol
LogP2.64
Rot. Bonds4

About (4-chlorophenyl)-(1-methylsulfonylpiperidin-4-yl)-pyridin-3-ylmethanol

(4-chlorophenyl)-(1-methylsulfonylpiperidin-4-yl)-pyridin-3-ylmethanol (PubChem CID 56662298) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is (4-chlorophenyl)-(1-methylsulfonylpiperidin-4-yl)-pyridin-3-ylmethanol.

Molecular Properties

Compound Name(4-chlorophenyl)-(1-methylsulfonylpiperidin-4-yl)-pyridin-3-ylmethanol
PubChem CID56662298
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name(4-chlorophenyl)-(1-methylsulfonylpiperidin-4-yl)-pyridin-3-ylmethanol
SMILESCS(=O)(=O)N1CCC(C(O)(c2ccc(Cl)cc2)c2cccnc2)CC1
InChIInChI=1S/C18H21ClN2O3S/c1-25(23,24)21-11-8-15(9-12-21)18(22,16-3-2-10-20-13-16)14-4-6-17(19)7-5-14/h2-7,10,13,15,22H,8-9,11-12H2,1H3
InChIKeyJJZCZBVWCVYBTR-UHFFFAOYSA-N
XLogP2.64
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(1-methylsulfonylpiperidin-4-yl)-pyridin-3-ylmethanol?
The IUPAC name of (4-chlorophenyl)-(1-methylsulfonylpiperidin-4-yl)-pyridin-3-ylmethanol (CID 56662298) is (4-chlorophenyl)-(1-methylsulfonylpiperidin-4-yl)-pyridin-3-ylmethanol.
What is the SMILES notation for (4-chlorophenyl)-(1-methylsulfonylpiperidin-4-yl)-pyridin-3-ylmethanol?
The canonical SMILES for (4-chlorophenyl)-(1-methylsulfonylpiperidin-4-yl)-pyridin-3-ylmethanol is CS(=O)(=O)N1CCC(C(O)(c2ccc(Cl)cc2)c2cccnc2)CC1.
What is the InChIKey of (4-chlorophenyl)-(1-methylsulfonylpiperidin-4-yl)-pyridin-3-ylmethanol?
The InChIKey is JJZCZBVWCVYBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-25(23,24)21-11-8-15(9-12-21)18(22,16-3-2-10-20-13-16)14-4-6-17(19)7-5-14/h2-7,10,13,15,22H,8-9,11-12H2,1H3.
What are the key properties of (4-chlorophenyl)-(1-methylsulfonylpiperidin-4-yl)-pyridin-3-ylmethanol?
(4-chlorophenyl)-(1-methylsulfonylpiperidin-4-yl)-pyridin-3-ylmethanol has a molecular weight of 380.90 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(1-methylsulfonylpiperidin-4-yl)-pyridin-3-ylmethanol is sourced from PubChem (CID 56662298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).