4-[(4-propan-2-ylphenyl)methyl]piperidine

C15H23N — CID 10729587

IUPAC4-[(4-propan-2-ylphenyl)methyl]piperidine
SMILESCC(C)c1ccc(CC2CCNCC2)cc1
InChIInChI=1S/C15H23N/c1-12(2)15-5-3-13(4-6-15)11-14-7-9-16-10-8-14/h3-6,12,14,16H,7-11H2,1-2H3
InChIKeyDYNAEHFTVFNQEX-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.35
Rot. Bonds3

About 4-[(4-propan-2-ylphenyl)methyl]piperidine

4-[(4-propan-2-ylphenyl)methyl]piperidine (PubChem CID 10729587) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 4-[(4-propan-2-ylphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(4-propan-2-ylphenyl)methyl]piperidine
PubChem CID10729587
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name4-[(4-propan-2-ylphenyl)methyl]piperidine
SMILESCC(C)c1ccc(CC2CCNCC2)cc1
InChIInChI=1S/C15H23N/c1-12(2)15-5-3-13(4-6-15)11-14-7-9-16-10-8-14/h3-6,12,14,16H,7-11H2,1-2H3
InChIKeyDYNAEHFTVFNQEX-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-[(4-propan-2-ylphenyl)methyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(4-propan-2-ylphenyl)methyl]piperidine?
The IUPAC name of 4-[(4-propan-2-ylphenyl)methyl]piperidine (CID 10729587) is 4-[(4-propan-2-ylphenyl)methyl]piperidine.
What is the SMILES notation for 4-[(4-propan-2-ylphenyl)methyl]piperidine?
The canonical SMILES for 4-[(4-propan-2-ylphenyl)methyl]piperidine is CC(C)c1ccc(CC2CCNCC2)cc1.
What is the InChIKey of 4-[(4-propan-2-ylphenyl)methyl]piperidine?
The InChIKey is DYNAEHFTVFNQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-12(2)15-5-3-13(4-6-15)11-14-7-9-16-10-8-14/h3-6,12,14,16H,7-11H2,1-2H3.
What are the key properties of 4-[(4-propan-2-ylphenyl)methyl]piperidine?
4-[(4-propan-2-ylphenyl)methyl]piperidine has a molecular weight of 217.36 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-propan-2-ylphenyl)methyl]piperidine is sourced from PubChem (CID 10729587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).