(4-chlorophenyl)-[4-hydroxy-4-(phenylsulfanylmethyl)piperidin-1-yl]methanone

C19H20ClNO2S — CID 1489027

IUPAC(4-chlorophenyl)-[4-hydroxy-4-(phenylsulfanylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCC(O)(CSc2ccccc2)CC1
InChIInChI=1S/C19H20ClNO2S/c20-16-8-6-15(7-9-16)18(22)21-12-10-19(23,11-13-21)14-24-17-4-2-1-3-5-17/h1-9,23H,10-14H2
InChIKeySQTXYLBEXRZVPT-UHFFFAOYSA-N
MW361.89 g/mol
LogP4.10
Rot. Bonds4

About (4-chlorophenyl)-[4-hydroxy-4-(phenylsulfanylmethyl)piperidin-1-yl]methanone

(4-chlorophenyl)-[4-hydroxy-4-(phenylsulfanylmethyl)piperidin-1-yl]methanone (PubChem CID 1489027) has the molecular formula C19H20ClNO2S and a molecular weight of 361.89 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-hydroxy-4-(phenylsulfanylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-hydroxy-4-(phenylsulfanylmethyl)piperidin-1-yl]methanone
PubChem CID1489027
Molecular FormulaC19H20ClNO2S
Molecular Weight361.89 g/mol
Exact Mass361.09
IUPAC Name(4-chlorophenyl)-[4-hydroxy-4-(phenylsulfanylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCC(O)(CSc2ccccc2)CC1
InChIInChI=1S/C19H20ClNO2S/c20-16-8-6-15(7-9-16)18(22)21-12-10-19(23,11-13-21)14-24-17-4-2-1-3-5-17/h1-9,23H,10-14H2
InChIKeySQTXYLBEXRZVPT-UHFFFAOYSA-N
XLogP4.10
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.89
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-hydroxy-4-(phenylsulfanylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-hydroxy-4-(phenylsulfanylmethyl)piperidin-1-yl]methanone (CID 1489027) is (4-chlorophenyl)-[4-hydroxy-4-(phenylsulfanylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-hydroxy-4-(phenylsulfanylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-hydroxy-4-(phenylsulfanylmethyl)piperidin-1-yl]methanone is O=C(c1ccc(Cl)cc1)N1CCC(O)(CSc2ccccc2)CC1.
What is the InChIKey of (4-chlorophenyl)-[4-hydroxy-4-(phenylsulfanylmethyl)piperidin-1-yl]methanone?
The InChIKey is SQTXYLBEXRZVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO2S/c20-16-8-6-15(7-9-16)18(22)21-12-10-19(23,11-13-21)14-24-17-4-2-1-3-5-17/h1-9,23H,10-14H2.
What are the key properties of (4-chlorophenyl)-[4-hydroxy-4-(phenylsulfanylmethyl)piperidin-1-yl]methanone?
(4-chlorophenyl)-[4-hydroxy-4-(phenylsulfanylmethyl)piperidin-1-yl]methanone has a molecular weight of 361.89 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-hydroxy-4-(phenylsulfanylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 1489027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).