(5-chlorothiophen-2-yl)-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone

C17H18ClNO2S — CID 31058355

IUPAC(5-chlorothiophen-2-yl)-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)s1)N1CCC([C@H](O)c2ccccc2)CC1
InChIInChI=1S/C17H18ClNO2S/c18-15-7-6-14(22-15)17(21)19-10-8-13(9-11-19)16(20)12-4-2-1-3-5-12/h1-7,13,16,20H,8-11H2/t16-/m1/s1
InChIKeyUVHQMZFFCKLTCV-MRXNPFEDSA-N
MW335.86 g/mol
LogP3.99
Rot. Bonds3

About (5-chlorothiophen-2-yl)-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone

(5-chlorothiophen-2-yl)-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone (PubChem CID 31058355) has the molecular formula C17H18ClNO2S and a molecular weight of 335.86 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
PubChem CID31058355
Molecular FormulaC17H18ClNO2S
Molecular Weight335.86 g/mol
Exact Mass335.07
IUPAC Name(5-chlorothiophen-2-yl)-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)s1)N1CCC([C@H](O)c2ccccc2)CC1
InChIInChI=1S/C17H18ClNO2S/c18-15-7-6-14(22-15)17(21)19-10-8-13(9-11-19)16(20)12-4-2-1-3-5-12/h1-7,13,16,20H,8-11H2/t16-/m1/s1
InChIKeyUVHQMZFFCKLTCV-MRXNPFEDSA-N
XLogP3.99
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-chlorothiophen-2-yl)-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 95278919
(2-ethyl-1,3-thiazol-5-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 95143740
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(2-propyl-1,3-thiazol-5-yl)methanone
CID 111462920
(4-aminopiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 62276124
(5-chlorothiophen-2-yl)-(4-pyrrol-1-ylpiperidin-1-yl)methanone
CID 151434811
(5-chlorothiophen-2-yl)-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]methanone
CID 97038821
(4-chloro-1H-pyrrol-2-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 38479790
(5-chlorothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563647
(3-aminopyrazin-2-yl)-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 38480245
(5-chlorothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 128961505
(5-chlorothiophen-2-yl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
CID 53150692
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(2,4,6-trifluorophenyl)methanone
CID 111459545

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone (CID 31058355) is (5-chlorothiophen-2-yl)-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone is O=C(c1ccc(Cl)s1)N1CCC([C@H](O)c2ccccc2)CC1.
What is the InChIKey of (5-chlorothiophen-2-yl)-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone?
The InChIKey is UVHQMZFFCKLTCV-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18ClNO2S/c18-15-7-6-14(22-15)17(21)19-10-8-13(9-11-19)16(20)12-4-2-1-3-5-12/h1-7,13,16,20H,8-11H2/t16-/m1/s1.
What are the key properties of (5-chlorothiophen-2-yl)-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone?
(5-chlorothiophen-2-yl)-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone has a molecular weight of 335.86 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 31058355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).