1-[(4-methoxy-3-methylphenyl)methyl]-2-methylpiperidine

C15H23NO — CID 2845664

IUPAC1-[(4-methoxy-3-methylphenyl)methyl]-2-methylpiperidine
SMILESCOc1ccc(CN2CCCCC2C)cc1C
InChIInChI=1S/C15H23NO/c1-12-10-14(7-8-15(12)17-3)11-16-9-5-4-6-13(16)2/h7-8,10,13H,4-6,9,11H2,1-3H3
InChIKeyMKJXJNCXFZHYPV-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.38
Rot. Bonds3

About 1-[(4-methoxy-3-methylphenyl)methyl]-2-methylpiperidine

1-[(4-methoxy-3-methylphenyl)methyl]-2-methylpiperidine (PubChem CID 2845664) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-[(4-methoxy-3-methylphenyl)methyl]-2-methylpiperidine.

Molecular Properties

Compound Name1-[(4-methoxy-3-methylphenyl)methyl]-2-methylpiperidine
PubChem CID2845664
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-[(4-methoxy-3-methylphenyl)methyl]-2-methylpiperidine
SMILESCOc1ccc(CN2CCCCC2C)cc1C
InChIInChI=1S/C15H23NO/c1-12-10-14(7-8-15(12)17-3)11-16-9-5-4-6-13(16)2/h7-8,10,13H,4-6,9,11H2,1-3H3
InChIKeyMKJXJNCXFZHYPV-UHFFFAOYSA-N
XLogP3.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(4-methoxy-3-methylphenyl)methyl]-2-methylpiperidine 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 1-[(4-methoxy-3-methylphenyl)methyl]-2-methylpiperidine?
The IUPAC name of 1-[(4-methoxy-3-methylphenyl)methyl]-2-methylpiperidine (CID 2845664) is 1-[(4-methoxy-3-methylphenyl)methyl]-2-methylpiperidine.
What is the SMILES notation for 1-[(4-methoxy-3-methylphenyl)methyl]-2-methylpiperidine?
The canonical SMILES for 1-[(4-methoxy-3-methylphenyl)methyl]-2-methylpiperidine is COc1ccc(CN2CCCCC2C)cc1C.
What is the InChIKey of 1-[(4-methoxy-3-methylphenyl)methyl]-2-methylpiperidine?
The InChIKey is MKJXJNCXFZHYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-10-14(7-8-15(12)17-3)11-16-9-5-4-6-13(16)2/h7-8,10,13H,4-6,9,11H2,1-3H3.
What are the key properties of 1-[(4-methoxy-3-methylphenyl)methyl]-2-methylpiperidine?
1-[(4-methoxy-3-methylphenyl)methyl]-2-methylpiperidine has a molecular weight of 233.35 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-3-methylphenyl)methyl]-2-methylpiperidine is sourced from PubChem (CID 2845664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).