2-methyl-4-[(4-methylphenyl)methyl]piperidine

C14H21N — CID 106777755

IUPAC2-methyl-4-[(4-methylphenyl)methyl]piperidine
SMILESCc1ccc(CC2CCNC(C)C2)cc1
InChIInChI=1S/C14H21N/c1-11-3-5-13(6-4-11)10-14-7-8-15-12(2)9-14/h3-6,12,14-15H,7-10H2,1-2H3
InChIKeyUCRSLHGGPAOOSW-UHFFFAOYSA-N
MW203.33 g/mol
LogP2.93
Rot. Bonds2

About 2-methyl-4-[(4-methylphenyl)methyl]piperidine

2-methyl-4-[(4-methylphenyl)methyl]piperidine (PubChem CID 106777755) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 2-methyl-4-[(4-methylphenyl)methyl]piperidine.

Molecular Properties

Compound Name2-methyl-4-[(4-methylphenyl)methyl]piperidine
PubChem CID106777755
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name2-methyl-4-[(4-methylphenyl)methyl]piperidine
SMILESCc1ccc(CC2CCNC(C)C2)cc1
InChIInChI=1S/C14H21N/c1-11-3-5-13(6-4-11)10-14-7-8-15-12(2)9-14/h3-6,12,14-15H,7-10H2,1-2H3
InChIKeyUCRSLHGGPAOOSW-UHFFFAOYSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-methyl-4-[(4-methylphenyl)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

Related Compounds

1-(cyclopropylmethyl)-4-methylbenzene
CID 3282669
N,4-dimethyl-N-[(2-methylpiperidin-4-yl)methyl]aniline
CID 106741023
2-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 106778140
N-methyl-3-[(4-methylphenyl)methyl]cyclopentan-1-amine
CID 64505421
2-[(4-methylphenyl)methyl]pyrrolidin-3-ol
CID 83829838
1-(cyclohexylmethyl)-4-methylbenzene
CID 11008690
3-[(4-methylphenyl)methyl]cyclohexan-1-ol
CID 64515561
5-[(4-methylphenyl)methyl]cycloheptene
CID 142080732
2-[(4-methylphenyl)methyl]pyrrolidine
CID 3510571
(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103
(2R,4R)-2,4-dibenzylpiperidine
CID 101092769
2-methyl-5-[(4-methylphenyl)methyl]oxane
CID 123844175

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(4-methylphenyl)methyl]piperidine?
The IUPAC name of 2-methyl-4-[(4-methylphenyl)methyl]piperidine (CID 106777755) is 2-methyl-4-[(4-methylphenyl)methyl]piperidine.
What is the SMILES notation for 2-methyl-4-[(4-methylphenyl)methyl]piperidine?
The canonical SMILES for 2-methyl-4-[(4-methylphenyl)methyl]piperidine is Cc1ccc(CC2CCNC(C)C2)cc1.
What is the InChIKey of 2-methyl-4-[(4-methylphenyl)methyl]piperidine?
The InChIKey is UCRSLHGGPAOOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-11-3-5-13(6-4-11)10-14-7-8-15-12(2)9-14/h3-6,12,14-15H,7-10H2,1-2H3.
What are the key properties of 2-methyl-4-[(4-methylphenyl)methyl]piperidine?
2-methyl-4-[(4-methylphenyl)methyl]piperidine has a molecular weight of 203.33 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(4-methylphenyl)methyl]piperidine is sourced from PubChem (CID 106777755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).