4-[(2,6-dimethylphenyl)methyl]piperidine

C14H21N — CID 103840873

IUPAC4-[(2,6-dimethylphenyl)methyl]piperidine
SMILESCc1cccc(C)c1CC1CCNCC1
InChIInChI=1S/C14H21N/c1-11-4-3-5-12(2)14(11)10-13-6-8-15-9-7-13/h3-5,13,15H,6-10H2,1-2H3
InChIKeyXEZWPBPHONURKC-UHFFFAOYSA-N
MW203.33 g/mol
LogP2.85
Rot. Bonds2

About 4-[(2,6-dimethylphenyl)methyl]piperidine

4-[(2,6-dimethylphenyl)methyl]piperidine (PubChem CID 103840873) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 4-[(2,6-dimethylphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(2,6-dimethylphenyl)methyl]piperidine
PubChem CID103840873
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name4-[(2,6-dimethylphenyl)methyl]piperidine
SMILESCc1cccc(C)c1CC1CCNCC1
InChIInChI=1S/C14H21N/c1-11-4-3-5-12(2)14(11)10-13-6-8-15-9-7-13/h3-5,13,15H,6-10H2,1-2H3
InChIKeyXEZWPBPHONURKC-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-[(2,6-dimethylphenyl)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

3,6-dimethyl-2-(piperidin-4-ylmethyl)phenol
CID 84786990
4-[(3-chloro-2,6-dimethylphenyl)methyl]piperidine
CID 84798988
4-[(2,6-difluoro-3-methylphenyl)methyl]piperidine
CID 82823243
3-fluoro-4-methyl-2-(piperidin-4-ylmethyl)phenol
CID 84789130
4-[(6-bromo-2-fluoro-3-methylphenyl)methyl]piperidine
CID 84813696
4-[(3-chloro-2-methoxy-6-methylphenyl)methyl]piperidine
CID 117387735
3-chloro-6-methyl-2-(piperidin-4-ylmethyl)phenol
CID 84800086
5-methyl-4-(piperidin-4-ylmethyl)quinoline
CID 18365374
7-methyl-2-(piperidin-4-ylmethyl)-1,3-benzoxazole
CID 79608893
4-[(2-fluoro-6-methoxyphenyl)methyl]piperidine
CID 83809598
4-[3-(2-methylphenyl)propyl]piperidine
CID 54301052
4-[(2,3,4-trimethylphenyl)methyl]piperidine
CID 116925401

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylphenyl)methyl]piperidine?
The IUPAC name of 4-[(2,6-dimethylphenyl)methyl]piperidine (CID 103840873) is 4-[(2,6-dimethylphenyl)methyl]piperidine.
What is the SMILES notation for 4-[(2,6-dimethylphenyl)methyl]piperidine?
The canonical SMILES for 4-[(2,6-dimethylphenyl)methyl]piperidine is Cc1cccc(C)c1CC1CCNCC1.
What is the InChIKey of 4-[(2,6-dimethylphenyl)methyl]piperidine?
The InChIKey is XEZWPBPHONURKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-11-4-3-5-12(2)14(11)10-13-6-8-15-9-7-13/h3-5,13,15H,6-10H2,1-2H3.
What are the key properties of 4-[(2,6-dimethylphenyl)methyl]piperidine?
4-[(2,6-dimethylphenyl)methyl]piperidine has a molecular weight of 203.33 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylphenyl)methyl]piperidine is sourced from PubChem (CID 103840873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).