1-[(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethanone

C19H18Cl3NO — CID 58956949

IUPAC1-[(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethanone
SMILESCC(=O)[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H18Cl3NO/c1-12(24)13-2-9-19(17-8-5-15(21)10-18(17)22)23(11-13)16-6-3-14(20)4-7-16/h3-8,10,13,19H,2,9,11H2,1H3/t13-,19+/m1/s1
InChIKeySRQMPVVENUYKQY-YJYMSZOUSA-N
MW382.72 g/mol
LogP6.19
Rot. Bonds3

About 1-[(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethanone

1-[(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethanone (PubChem CID 58956949) has the molecular formula C19H18Cl3NO and a molecular weight of 382.72 g/mol. Its IUPAC name is 1-[(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethanone
PubChem CID58956949
Molecular FormulaC19H18Cl3NO
Molecular Weight382.72 g/mol
Exact Mass381.05
IUPAC Name1-[(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethanone
SMILESCC(=O)[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H18Cl3NO/c1-12(24)13-2-9-19(17-8-5-15(21)10-18(17)22)23(11-13)16-6-3-14(20)4-7-16/h3-8,10,13,19H,2,9,11H2,1H3/t13-,19+/m1/s1
InChIKeySRQMPVVENUYKQY-YJYMSZOUSA-N
XLogP6.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.72
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethanone with MolForge

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Related Compounds

(6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidine-3-carboxylic acid
CID 58956898
(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-(2-methylpropyl)piperidine-3-carboxamide
CID 46230073
1-[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]-N-methylmethanamine
CID 71176030
1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;1-methylpiperidine
CID 143508383
N-[2-[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethyl]ethanesulfonamide
CID 58957061
1-[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]-N-propylsulfanylmethanamine
CID 143508395
N-[2-[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethyl]-1,1,1-trifluoromethanesulfonamide
CID 58956980
1-[[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methyl]-2,4-dimethylpiperazine
CID 58956900
N-[[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methyl]-4-isocyanobenzamide
CID 58956961
1-[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]-N-[(3,4-difluorophenyl)methyl]methanamine
CID 58957022
1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;N-ethylcyclopropanesulfinamide
CID 143508583
1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;1-methylpiperazine
CID 143508379

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethanone?
The IUPAC name of 1-[(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethanone (CID 58956949) is 1-[(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethanone.
What is the SMILES notation for 1-[(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethanone?
The canonical SMILES for 1-[(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethanone is CC(=O)[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethanone?
The InChIKey is SRQMPVVENUYKQY-YJYMSZOUSA-N. The full InChI is InChI=1S/C19H18Cl3NO/c1-12(24)13-2-9-19(17-8-5-15(21)10-18(17)22)23(11-13)16-6-3-14(20)4-7-16/h3-8,10,13,19H,2,9,11H2,1H3/t13-,19+/m1/s1.
What are the key properties of 1-[(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethanone?
1-[(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethanone has a molecular weight of 382.72 g/mol, XLogP of 6.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethanone is sourced from PubChem (CID 58956949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).