3-[4-(4-chlorophenyl)-2-methylphenyl]-1-cyclohexylpiperidine

C24H30ClN — CID 165053868

IUPAC3-[4-(4-chlorophenyl)-2-methylphenyl]-1-cyclohexylpiperidine
SMILESCc1cc(-c2ccc(Cl)cc2)ccc1C1CCCN(C2CCCCC2)C1
InChIInChI=1S/C24H30ClN/c1-18-16-20(19-9-12-22(25)13-10-19)11-14-24(18)21-6-5-15-26(17-21)23-7-3-2-4-8-23/h9-14,16,21,23H,2-8,15,17H2,1H3
InChIKeyQBYXFFCDHVGIJM-UHFFFAOYSA-N
MW367.96 g/mol
LogP6.83
Rot. Bonds3

About 3-[4-(4-chlorophenyl)-2-methylphenyl]-1-cyclohexylpiperidine

3-[4-(4-chlorophenyl)-2-methylphenyl]-1-cyclohexylpiperidine (PubChem CID 165053868) has the molecular formula C24H30ClN and a molecular weight of 367.96 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)-2-methylphenyl]-1-cyclohexylpiperidine.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)-2-methylphenyl]-1-cyclohexylpiperidine
PubChem CID165053868
Molecular FormulaC24H30ClN
Molecular Weight367.96 g/mol
Exact Mass367.21
IUPAC Name3-[4-(4-chlorophenyl)-2-methylphenyl]-1-cyclohexylpiperidine
SMILESCc1cc(-c2ccc(Cl)cc2)ccc1C1CCCN(C2CCCCC2)C1
InChIInChI=1S/C24H30ClN/c1-18-16-20(19-9-12-22(25)13-10-19)11-14-24(18)21-6-5-15-26(17-21)23-7-3-2-4-8-23/h9-14,16,21,23H,2-8,15,17H2,1H3
InChIKeyQBYXFFCDHVGIJM-UHFFFAOYSA-N
XLogP6.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.96
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopentyl-3-[4-(4-fluorophenyl)-2-methylphenyl]piperidine
CID 155405582
2-(4-chlorophenyl)-5-(1-cyclopentylpiperidin-3-yl)-4-methylpyridine
CID 155405586
1-cyclopentyl-4-(2,4-dimethylphenyl)piperidine
CID 145201181
2-(3-chlorophenyl)-3-(1-cyclopentylpiperidin-3-yl)pyrazine
CID 110254777
2-(4-chlorophenyl)-5-(1-cyclopentylpiperidin-3-yl)-4-methylpyridine;6-(4-chlorophenyl)-3-(1-cyclopentylpiperidin-3-yl)-2-methylpyridine;3-[4-(4-chlorophenyl)-2-methylphenyl]-1-cyclohexylpiperidine;3-[4-(4-chlorophenyl)-2-methylphenyl]-1-(cyclopentylmethyl)piperidine;2-[4-(4-chlorophenyl)-2-methylphenyl]-4-cyclopentylmorpholine;3-[4-(4-chlorophenyl)-3-methylphenyl]-1-cyclopentylpiperidine;1-cyclopentyl-3-[4-(4-fluorophenyl)-2-methylphenyl]piperidine;2-(1-cyclopentylpiperidin-3-yl)-5-(4-fluorophenyl)-3-methylpyridine
CID 167624460
3-[4-(4-chlorophenyl)-2-methylphenyl]bicyclo[3.2.1]octane-2,4-dione
CID 131731832
3-(4-chlorophenyl)-6-(4-cyclohexylpiperazin-1-yl)-4-methylpyridazine
CID 142271744
1-cyclohexyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 110269139
2-(5-chloro-2-methylphenyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939589
N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-cyclohexylpiperidine-3-carboxamide
CID 162633742
3-(4-chlorophenyl)-1-cyclopropylpyrrolidine
CID 171633097
(3R,9aR)-3-[(4-chlorophenyl)methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 76964774

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)-2-methylphenyl]-1-cyclohexylpiperidine?
The IUPAC name of 3-[4-(4-chlorophenyl)-2-methylphenyl]-1-cyclohexylpiperidine (CID 165053868) is 3-[4-(4-chlorophenyl)-2-methylphenyl]-1-cyclohexylpiperidine.
What is the SMILES notation for 3-[4-(4-chlorophenyl)-2-methylphenyl]-1-cyclohexylpiperidine?
The canonical SMILES for 3-[4-(4-chlorophenyl)-2-methylphenyl]-1-cyclohexylpiperidine is Cc1cc(-c2ccc(Cl)cc2)ccc1C1CCCN(C2CCCCC2)C1.
What is the InChIKey of 3-[4-(4-chlorophenyl)-2-methylphenyl]-1-cyclohexylpiperidine?
The InChIKey is QBYXFFCDHVGIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN/c1-18-16-20(19-9-12-22(25)13-10-19)11-14-24(18)21-6-5-15-26(17-21)23-7-3-2-4-8-23/h9-14,16,21,23H,2-8,15,17H2,1H3.
What are the key properties of 3-[4-(4-chlorophenyl)-2-methylphenyl]-1-cyclohexylpiperidine?
3-[4-(4-chlorophenyl)-2-methylphenyl]-1-cyclohexylpiperidine has a molecular weight of 367.96 g/mol, XLogP of 6.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)-2-methylphenyl]-1-cyclohexylpiperidine is sourced from PubChem (CID 165053868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).