3-(4-chlorophenyl)-4-methyl-1-(2-phenylethyl)piperidine

C20H24ClN — CID 91295133

IUPAC3-(4-chlorophenyl)-4-methyl-1-(2-phenylethyl)piperidine
SMILESCC1CCN(CCc2ccccc2)CC1c1ccc(Cl)cc1
InChIInChI=1S/C20H24ClN/c1-16-11-13-22(14-12-17-5-3-2-4-6-17)15-20(16)18-7-9-19(21)10-8-18/h2-10,16,20H,11-15H2,1H3
InChIKeyMWMRQSYXHQZCMS-UHFFFAOYSA-N
MW313.87 g/mol
LogP5.01
Rot. Bonds4

About 3-(4-chlorophenyl)-4-methyl-1-(2-phenylethyl)piperidine

3-(4-chlorophenyl)-4-methyl-1-(2-phenylethyl)piperidine (PubChem CID 91295133) has the molecular formula C20H24ClN and a molecular weight of 313.87 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-methyl-1-(2-phenylethyl)piperidine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-methyl-1-(2-phenylethyl)piperidine
PubChem CID91295133
Molecular FormulaC20H24ClN
Molecular Weight313.87 g/mol
Exact Mass313.16
IUPAC Name3-(4-chlorophenyl)-4-methyl-1-(2-phenylethyl)piperidine
SMILESCC1CCN(CCc2ccccc2)CC1c1ccc(Cl)cc1
InChIInChI=1S/C20H24ClN/c1-16-11-13-22(14-12-17-5-3-2-4-6-17)15-20(16)18-7-9-19(21)10-8-18/h2-10,16,20H,11-15H2,1H3
InChIKeyMWMRQSYXHQZCMS-UHFFFAOYSA-N
XLogP5.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.87
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-[(3R,4R)-1-benzyl-3-(4-chlorophenyl)piperidin-4-yl]ethanol;(1S)-1-[(3R,4R)-1-benzyl-3-(4-chlorophenyl)piperidin-4-yl]ethanol
CID 162260997
[(3S,4S)-1-benzyl-3-(4-chlorophenyl)piperidin-4-yl]methanediol
CID 59438124
1-(2-phenylethyl)pyrrolidin-3-amine
CID 18411819
(3R,4R)-4-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]-3-(4-fluorophenyl)-1-(2-phenylethyl)piperidine
CID 71238509
(3R,4R)-3-(4-fluorophenyl)-1-(2-phenylethyl)piperidine-4-carboxylic acid;hydrochloride
CID 71237648
N-(4-chlorobenzenecarbothioyl)-3-(4-fluorophenyl)-1-(2-phenylethyl)piperidine-4-carboxamide
CID 89396419
2-[1-benzyl-3-(4-chlorophenyl)piperidin-4-yl]ethanamine
CID 68756665
N-[2-(4-chlorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine
CID 30983457
1-benzyl-3-methyl-4-phenylpyrrolidine
CID 3522572
(4S)-1-benzyl-3-methyl-4-phenylpyrrolidine
CID 71104653
(3R,4S)-4-(2-chlorophenoxy)-1-[2-(3-methylphenyl)ethyl]-3-phenylpiperidine
CID 70513382
hypochlorous acid;1-(2-phenylethyl)piperidin-4-amine
CID 159010718

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-methyl-1-(2-phenylethyl)piperidine?
The IUPAC name of 3-(4-chlorophenyl)-4-methyl-1-(2-phenylethyl)piperidine (CID 91295133) is 3-(4-chlorophenyl)-4-methyl-1-(2-phenylethyl)piperidine.
What is the SMILES notation for 3-(4-chlorophenyl)-4-methyl-1-(2-phenylethyl)piperidine?
The canonical SMILES for 3-(4-chlorophenyl)-4-methyl-1-(2-phenylethyl)piperidine is CC1CCN(CCc2ccccc2)CC1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-4-methyl-1-(2-phenylethyl)piperidine?
The InChIKey is MWMRQSYXHQZCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN/c1-16-11-13-22(14-12-17-5-3-2-4-6-17)15-20(16)18-7-9-19(21)10-8-18/h2-10,16,20H,11-15H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-4-methyl-1-(2-phenylethyl)piperidine?
3-(4-chlorophenyl)-4-methyl-1-(2-phenylethyl)piperidine has a molecular weight of 313.87 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-methyl-1-(2-phenylethyl)piperidine is sourced from PubChem (CID 91295133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).