4-benzyl-1-(3-methyl-1-phenylcyclohexyl)piperidine

C25H33N — CID 10043314

IUPAC4-benzyl-1-(3-methyl-1-phenylcyclohexyl)piperidine
SMILESCC1CCCC(c2ccccc2)(N2CCC(Cc3ccccc3)CC2)C1
InChIInChI=1S/C25H33N/c1-21-9-8-16-25(20-21,24-12-6-3-7-13-24)26-17-14-23(15-18-26)19-22-10-4-2-5-11-22/h2-7,10-13,21,23H,8-9,14-20H2,1H3
InChIKeyPHCVWBXJBUDAOK-UHFFFAOYSA-N
MW347.55 g/mol
LogP6.05
Rot. Bonds4

About 4-benzyl-1-(3-methyl-1-phenylcyclohexyl)piperidine

4-benzyl-1-(3-methyl-1-phenylcyclohexyl)piperidine (PubChem CID 10043314) has the molecular formula C25H33N and a molecular weight of 347.55 g/mol. Its IUPAC name is 4-benzyl-1-(3-methyl-1-phenylcyclohexyl)piperidine.

Molecular Properties

Compound Name4-benzyl-1-(3-methyl-1-phenylcyclohexyl)piperidine
PubChem CID10043314
Molecular FormulaC25H33N
Molecular Weight347.55 g/mol
Exact Mass347.26
IUPAC Name4-benzyl-1-(3-methyl-1-phenylcyclohexyl)piperidine
SMILESCC1CCCC(c2ccccc2)(N2CCC(Cc3ccccc3)CC2)C1
InChIInChI=1S/C25H33N/c1-21-9-8-16-25(20-21,24-12-6-3-7-13-24)26-17-14-23(15-18-26)19-22-10-4-2-5-11-22/h2-7,10-13,21,23H,8-9,14-20H2,1H3
InChIKeyPHCVWBXJBUDAOK-UHFFFAOYSA-N
XLogP6.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.55
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(3-methyl-1-phenylcyclohexyl)piperidine?
The IUPAC name of 4-benzyl-1-(3-methyl-1-phenylcyclohexyl)piperidine (CID 10043314) is 4-benzyl-1-(3-methyl-1-phenylcyclohexyl)piperidine.
What is the SMILES notation for 4-benzyl-1-(3-methyl-1-phenylcyclohexyl)piperidine?
The canonical SMILES for 4-benzyl-1-(3-methyl-1-phenylcyclohexyl)piperidine is CC1CCCC(c2ccccc2)(N2CCC(Cc3ccccc3)CC2)C1.
What is the InChIKey of 4-benzyl-1-(3-methyl-1-phenylcyclohexyl)piperidine?
The InChIKey is PHCVWBXJBUDAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N/c1-21-9-8-16-25(20-21,24-12-6-3-7-13-24)26-17-14-23(15-18-26)19-22-10-4-2-5-11-22/h2-7,10-13,21,23H,8-9,14-20H2,1H3.
What are the key properties of 4-benzyl-1-(3-methyl-1-phenylcyclohexyl)piperidine?
4-benzyl-1-(3-methyl-1-phenylcyclohexyl)piperidine has a molecular weight of 347.55 g/mol, XLogP of 6.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(3-methyl-1-phenylcyclohexyl)piperidine is sourced from PubChem (CID 10043314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).