4-(3-methylcyclohexyl)-3-(4-methylphenyl)piperidine

C19H29N — CID 79442205

IUPAC4-(3-methylcyclohexyl)-3-(4-methylphenyl)piperidine
SMILESCc1ccc(C2CNCCC2C2CCCC(C)C2)cc1
InChIInChI=1S/C19H29N/c1-14-6-8-16(9-7-14)19-13-20-11-10-18(19)17-5-3-4-15(2)12-17/h6-9,15,17-20H,3-5,10-13H2,1-2H3
InChIKeyCIBFWIYVESMCHE-UHFFFAOYSA-N
MW271.45 g/mol
LogP4.51
Rot. Bonds2

About 4-(3-methylcyclohexyl)-3-(4-methylphenyl)piperidine

4-(3-methylcyclohexyl)-3-(4-methylphenyl)piperidine (PubChem CID 79442205) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is 4-(3-methylcyclohexyl)-3-(4-methylphenyl)piperidine.

Molecular Properties

Compound Name4-(3-methylcyclohexyl)-3-(4-methylphenyl)piperidine
PubChem CID79442205
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name4-(3-methylcyclohexyl)-3-(4-methylphenyl)piperidine
SMILESCc1ccc(C2CNCCC2C2CCCC(C)C2)cc1
InChIInChI=1S/C19H29N/c1-14-6-8-16(9-7-14)19-13-20-11-10-18(19)17-5-3-4-15(2)12-17/h6-9,15,17-20H,3-5,10-13H2,1-2H3
InChIKeyCIBFWIYVESMCHE-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylcyclohexyl)-3-(4-methylphenyl)piperidine?
The IUPAC name of 4-(3-methylcyclohexyl)-3-(4-methylphenyl)piperidine (CID 79442205) is 4-(3-methylcyclohexyl)-3-(4-methylphenyl)piperidine.
What is the SMILES notation for 4-(3-methylcyclohexyl)-3-(4-methylphenyl)piperidine?
The canonical SMILES for 4-(3-methylcyclohexyl)-3-(4-methylphenyl)piperidine is Cc1ccc(C2CNCCC2C2CCCC(C)C2)cc1.
What is the InChIKey of 4-(3-methylcyclohexyl)-3-(4-methylphenyl)piperidine?
The InChIKey is CIBFWIYVESMCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-14-6-8-16(9-7-14)19-13-20-11-10-18(19)17-5-3-4-15(2)12-17/h6-9,15,17-20H,3-5,10-13H2,1-2H3.
What are the key properties of 4-(3-methylcyclohexyl)-3-(4-methylphenyl)piperidine?
4-(3-methylcyclohexyl)-3-(4-methylphenyl)piperidine has a molecular weight of 271.45 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylcyclohexyl)-3-(4-methylphenyl)piperidine is sourced from PubChem (CID 79442205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).