3-[(5-methoxy-2-methylphenyl)methyl]piperidine

C14H21NO — CID 84786963

IUPAC3-[(5-methoxy-2-methylphenyl)methyl]piperidine
SMILESCOc1ccc(C)c(CC2CCCNC2)c1
InChIInChI=1S/C14H21NO/c1-11-5-6-14(16-2)9-13(11)8-12-4-3-7-15-10-12/h5-6,9,12,15H,3-4,7-8,10H2,1-2H3
InChIKeyNJZMXSSFPYNSHS-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.55
Rot. Bonds3

About 3-[(5-methoxy-2-methylphenyl)methyl]piperidine

3-[(5-methoxy-2-methylphenyl)methyl]piperidine (PubChem CID 84786963) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-[(5-methoxy-2-methylphenyl)methyl]piperidine.

Molecular Properties

Compound Name3-[(5-methoxy-2-methylphenyl)methyl]piperidine
PubChem CID84786963
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-[(5-methoxy-2-methylphenyl)methyl]piperidine
SMILESCOc1ccc(C)c(CC2CCCNC2)c1
InChIInChI=1S/C14H21NO/c1-11-5-6-14(16-2)9-13(11)8-12-4-3-7-15-10-12/h5-6,9,12,15H,3-4,7-8,10H2,1-2H3
InChIKeyNJZMXSSFPYNSHS-UHFFFAOYSA-N
XLogP2.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(5-methoxy-2-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-[4-methoxy-2-(piperidin-3-ylmethyl)phenyl]piperidine
CID 117466204
3-[(3,5-dimethoxy-2-methylphenyl)methyl]piperidine
CID 117377185
3-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine
CID 82495631
3-[(2-fluoro-5-methoxy-4-methylphenyl)methyl]piperidine
CID 84798639
3-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]piperidine
CID 117377672
(3S)-3-[(4-methoxy-3,5-dimethylphenyl)methyl]piperidine
CID 39345701
3-[(5-fluoro-2-methoxy-3-methylphenyl)methyl]piperidine
CID 84798660
3-[(2,3-difluoro-4-methylphenyl)methyl]piperidine
CID 84790249
5-methoxy-2-(pyrrolidin-3-ylmethyl)aniline
CID 105459503
3-[(3-ethyl-4-methylphenyl)methyl]piperidine
CID 84785651
3-[(3-tert-butyl-2,5-dimethoxyphenyl)methyl]piperidine
CID 117470959
3-[(2-methoxyphenyl)methyl]piperidine
CID 5005916

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methoxy-2-methylphenyl)methyl]piperidine?
The IUPAC name of 3-[(5-methoxy-2-methylphenyl)methyl]piperidine (CID 84786963) is 3-[(5-methoxy-2-methylphenyl)methyl]piperidine.
What is the SMILES notation for 3-[(5-methoxy-2-methylphenyl)methyl]piperidine?
The canonical SMILES for 3-[(5-methoxy-2-methylphenyl)methyl]piperidine is COc1ccc(C)c(CC2CCCNC2)c1.
What is the InChIKey of 3-[(5-methoxy-2-methylphenyl)methyl]piperidine?
The InChIKey is NJZMXSSFPYNSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-5-6-14(16-2)9-13(11)8-12-4-3-7-15-10-12/h5-6,9,12,15H,3-4,7-8,10H2,1-2H3.
What are the key properties of 3-[(5-methoxy-2-methylphenyl)methyl]piperidine?
3-[(5-methoxy-2-methylphenyl)methyl]piperidine has a molecular weight of 219.33 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methoxy-2-methylphenyl)methyl]piperidine is sourced from PubChem (CID 84786963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).