2-(2-chlorophenyl)sulfanyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one

C21H24ClNO2S — CID 55832752

IUPAC2-(2-chlorophenyl)sulfanyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
SMILESCC(Sc1ccccc1Cl)C(=O)N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C21H24ClNO2S/c1-15(26-19-10-6-5-9-18(19)22)21(25)23-13-11-17(12-14-23)20(24)16-7-3-2-4-8-16/h2-10,15,17,20,24H,11-14H2,1H3
InChIKeySYROROMQSKWOSC-UHFFFAOYSA-N
MW389.95 g/mol
LogP4.79
Rot. Bonds5

About 2-(2-chlorophenyl)sulfanyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one

2-(2-chlorophenyl)sulfanyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one (PubChem CID 55832752) has the molecular formula C21H24ClNO2S and a molecular weight of 389.95 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
PubChem CID55832752
Molecular FormulaC21H24ClNO2S
Molecular Weight389.95 g/mol
Exact Mass389.12
IUPAC Name2-(2-chlorophenyl)sulfanyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
SMILESCC(Sc1ccccc1Cl)C(=O)N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C21H24ClNO2S/c1-15(26-19-10-6-5-9-18(19)22)21(25)23-13-11-17(12-14-23)20(24)16-7-3-2-4-8-16/h2-10,15,17,20,24H,11-14H2,1H3
InChIKeySYROROMQSKWOSC-UHFFFAOYSA-N
XLogP4.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.95
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminopiperidin-1-yl)-2-(2-chlorophenyl)sulfanylpropan-1-one
CID 119376277
2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 110909513
2-[2-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]phenyl]sulfanylpropanoic acid
CID 119180053
N-butyl-1-[2-(2-chlorophenyl)sulfanylpropanoyl]-N-methylpiperidine-4-carboxamide
CID 55949392
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenoxypropan-1-one
CID 110885318
2-(2,5-dimethylpyrrolidin-1-yl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 110921876
2-(2-chlorophenyl)sulfanyl-1-(1,4-diazepan-1-yl)propan-1-one
CID 119417993
2-(2,6-dichlorophenyl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 55589570
2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-one
CID 110909523
N-(2-chlorophenyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 110890318
(2S)-1-(6-azaspiro[3.4]octan-6-yl)-2-(2-chlorophenyl)sulfanylpropan-1-one
CID 99707450
N-[1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 55590117

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one (CID 55832752) is 2-(2-chlorophenyl)sulfanyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one is CC(Sc1ccccc1Cl)C(=O)N1CCC(C(O)c2ccccc2)CC1.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one?
The InChIKey is SYROROMQSKWOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO2S/c1-15(26-19-10-6-5-9-18(19)22)21(25)23-13-11-17(12-14-23)20(24)16-7-3-2-4-8-16/h2-10,15,17,20,24H,11-14H2,1H3.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one?
2-(2-chlorophenyl)sulfanyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one has a molecular weight of 389.95 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 55832752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).