(4-chlorophenyl)-[4-[(4-chlorophenyl)sulfanylmethyl]-4-hydroxypiperidin-1-yl]methanone

C19H19Cl2NO2S — CID 1489028

IUPAC(4-chlorophenyl)-[4-[(4-chlorophenyl)sulfanylmethyl]-4-hydroxypiperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCC(O)(CSc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H19Cl2NO2S/c20-15-3-1-14(2-4-15)18(23)22-11-9-19(24,10-12-22)13-25-17-7-5-16(21)6-8-17/h1-8,24H,9-13H2
InChIKeyWZILZTCCYHZUAX-UHFFFAOYSA-N
MW396.34 g/mol
LogP4.75
Rot. Bonds4

About (4-chlorophenyl)-[4-[(4-chlorophenyl)sulfanylmethyl]-4-hydroxypiperidin-1-yl]methanone

(4-chlorophenyl)-[4-[(4-chlorophenyl)sulfanylmethyl]-4-hydroxypiperidin-1-yl]methanone (PubChem CID 1489028) has the molecular formula C19H19Cl2NO2S and a molecular weight of 396.34 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-[(4-chlorophenyl)sulfanylmethyl]-4-hydroxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-[(4-chlorophenyl)sulfanylmethyl]-4-hydroxypiperidin-1-yl]methanone
PubChem CID1489028
Molecular FormulaC19H19Cl2NO2S
Molecular Weight396.34 g/mol
Exact Mass395.05
IUPAC Name(4-chlorophenyl)-[4-[(4-chlorophenyl)sulfanylmethyl]-4-hydroxypiperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCC(O)(CSc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H19Cl2NO2S/c20-15-3-1-14(2-4-15)18(23)22-11-9-19(24,10-12-22)13-25-17-7-5-16(21)6-8-17/h1-8,24H,9-13H2
InChIKeyWZILZTCCYHZUAX-UHFFFAOYSA-N
XLogP4.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.34
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-Chloro-phenylsulfanylmethyl)-phenyl]-(4-methyl-piperidin-1-yl)-methanone
CID 1153922
1-(4-{[(4-Chlorophenyl)thio]methyl}benzoyl)pyrrolidine
CID 875414
(4-Chlorophenyl)-[4-[[(2,4-dichlorophenyl)thio]methyl]-4-hydroxy-1-piperidinyl]methanone
CID 1489029
1-(4-{[(4-Chlorophenyl)thio]methyl}benzoyl)-4-methylpiperazine
CID 2200941
[4-[(4-Chlorophenyl)sulfanylmethyl]phenyl]-morpholin-4-ylmethanone
CID 824493
(4-{[(4-Chlorobenzyl)sulfonyl]methyl}-4-hydroxypiperidino)[3-(trifluoromethyl)phenyl]methanone
CID 1478129
(4-Chlorophenyl)(4-hydroxy-4-{[(4-methylphenyl)sulfanyl]methyl}piperidino)methanone
CID 1489025
(4-Chlorophenyl){4-hydroxy-4-[(phenylsulfanyl)methyl]piperidino}methanone
CID 1489027
Ethyl 4-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]piperazine-1-carboxylate
CID 2896535
N-[(4-chlorophenyl)methyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 25163082
[5-(4-Chlorophenyl)thiophen-3-yl]-piperidin-1-ylmethanone
CID 2823748
[4-[(2-Chlorophenyl)sulfonylmethyl]phenyl]-piperidin-1-ylmethanone
CID 156810840

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-[(4-chlorophenyl)sulfanylmethyl]-4-hydroxypiperidin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-[(4-chlorophenyl)sulfanylmethyl]-4-hydroxypiperidin-1-yl]methanone (CID 1489028) is (4-chlorophenyl)-[4-[(4-chlorophenyl)sulfanylmethyl]-4-hydroxypiperidin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-[(4-chlorophenyl)sulfanylmethyl]-4-hydroxypiperidin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-[(4-chlorophenyl)sulfanylmethyl]-4-hydroxypiperidin-1-yl]methanone is O=C(c1ccc(Cl)cc1)N1CCC(O)(CSc2ccc(Cl)cc2)CC1.
What is the InChIKey of (4-chlorophenyl)-[4-[(4-chlorophenyl)sulfanylmethyl]-4-hydroxypiperidin-1-yl]methanone?
The InChIKey is WZILZTCCYHZUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO2S/c20-15-3-1-14(2-4-15)18(23)22-11-9-19(24,10-12-22)13-25-17-7-5-16(21)6-8-17/h1-8,24H,9-13H2.
What are the key properties of (4-chlorophenyl)-[4-[(4-chlorophenyl)sulfanylmethyl]-4-hydroxypiperidin-1-yl]methanone?
(4-chlorophenyl)-[4-[(4-chlorophenyl)sulfanylmethyl]-4-hydroxypiperidin-1-yl]methanone has a molecular weight of 396.34 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-[(4-chlorophenyl)sulfanylmethyl]-4-hydroxypiperidin-1-yl]methanone is sourced from PubChem (CID 1489028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).