(4-chlorophenyl)-[(3S,4S)-4-(4-chlorophenyl)-4-hydroxy-1-methylpiperidin-3-yl]methanone

C19H19Cl2NO2 — CID 6548754

IUPAC(4-chlorophenyl)-[(3S,4S)-4-(4-chlorophenyl)-4-hydroxy-1-methylpiperidin-3-yl]methanone
SMILESCN1CC[C@@](O)(c2ccc(Cl)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H19Cl2NO2/c1-22-11-10-19(24,14-4-8-16(21)9-5-14)17(12-22)18(23)13-2-6-15(20)7-3-13/h2-9,17,24H,10-12H2,1H3/t17-,19-/m1/s1
InChIKeyUFHWOVCVCKOHGI-IEBWSBKVSA-N
MW364.27 g/mol
LogP4.02
Rot. Bonds3

About (4-chlorophenyl)-[(3S,4S)-4-(4-chlorophenyl)-4-hydroxy-1-methylpiperidin-3-yl]methanone

(4-chlorophenyl)-[(3S,4S)-4-(4-chlorophenyl)-4-hydroxy-1-methylpiperidin-3-yl]methanone (PubChem CID 6548754) has the molecular formula C19H19Cl2NO2 and a molecular weight of 364.27 g/mol. Its IUPAC name is (4-chlorophenyl)-[(3S,4S)-4-(4-chlorophenyl)-4-hydroxy-1-methylpiperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[(3S,4S)-4-(4-chlorophenyl)-4-hydroxy-1-methylpiperidin-3-yl]methanone
PubChem CID6548754
Molecular FormulaC19H19Cl2NO2
Molecular Weight364.27 g/mol
Exact Mass363.08
IUPAC Name(4-chlorophenyl)-[(3S,4S)-4-(4-chlorophenyl)-4-hydroxy-1-methylpiperidin-3-yl]methanone
SMILESCN1CC[C@@](O)(c2ccc(Cl)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H19Cl2NO2/c1-22-11-10-19(24,14-4-8-16(21)9-5-14)17(12-22)18(23)13-2-6-15(20)7-3-13/h2-9,17,24H,10-12H2,1H3/t17-,19-/m1/s1
InChIKeyUFHWOVCVCKOHGI-IEBWSBKVSA-N
XLogP4.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.27
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[(3S,4S)-4-(4-chlorophenyl)-4-hydroxy-1-methylpiperidin-3-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[(3S,4S)-4-(4-chlorophenyl)-4-hydroxy-1-methylpiperidin-3-yl]methanone (CID 6548754) is (4-chlorophenyl)-[(3S,4S)-4-(4-chlorophenyl)-4-hydroxy-1-methylpiperidin-3-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[(3S,4S)-4-(4-chlorophenyl)-4-hydroxy-1-methylpiperidin-3-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[(3S,4S)-4-(4-chlorophenyl)-4-hydroxy-1-methylpiperidin-3-yl]methanone is CN1CC[C@@](O)(c2ccc(Cl)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of (4-chlorophenyl)-[(3S,4S)-4-(4-chlorophenyl)-4-hydroxy-1-methylpiperidin-3-yl]methanone?
The InChIKey is UFHWOVCVCKOHGI-IEBWSBKVSA-N. The full InChI is InChI=1S/C19H19Cl2NO2/c1-22-11-10-19(24,14-4-8-16(21)9-5-14)17(12-22)18(23)13-2-6-15(20)7-3-13/h2-9,17,24H,10-12H2,1H3/t17-,19-/m1/s1.
What are the key properties of (4-chlorophenyl)-[(3S,4S)-4-(4-chlorophenyl)-4-hydroxy-1-methylpiperidin-3-yl]methanone?
(4-chlorophenyl)-[(3S,4S)-4-(4-chlorophenyl)-4-hydroxy-1-methylpiperidin-3-yl]methanone has a molecular weight of 364.27 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[(3S,4S)-4-(4-chlorophenyl)-4-hydroxy-1-methylpiperidin-3-yl]methanone is sourced from PubChem (CID 6548754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).