3-[(3,5-dimethoxy-2-methylphenyl)methyl]piperidine

C15H23NO2 — CID 117377185

IUPAC3-[(3,5-dimethoxy-2-methylphenyl)methyl]piperidine
SMILESCOc1cc(CC2CCCNC2)c(C)c(OC)c1
InChIInChI=1S/C15H23NO2/c1-11-13(7-12-5-4-6-16-10-12)8-14(17-2)9-15(11)18-3/h8-9,12,16H,4-7,10H2,1-3H3
InChIKeyYEXOUWKENONBLY-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.55
Rot. Bonds4

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

3-[(3,5-dimethoxy-2-methylphenyl)methyl]piperidine (PubChem CID 117377185) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-[(3,5-dimethoxy-2-methylphenyl)methyl]piperidine.

Molecular Properties

Compound Name3-[(3,5-dimethoxy-2-methylphenyl)methyl]piperidine
PubChem CID117377185
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-[(3,5-dimethoxy-2-methylphenyl)methyl]piperidine
SMILESCOc1cc(CC2CCCNC2)c(C)c(OC)c1
InChIInChI=1S/C15H23NO2/c1-11-13(7-12-5-4-6-16-10-12)8-14(17-2)9-15(11)18-3/h8-9,12,16H,4-7,10H2,1-3H3
InChIKeyYEXOUWKENONBLY-UHFFFAOYSA-N
XLogP2.55
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(3,5-dimethoxy-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

3-[(5-methoxy-2-methylphenyl)methyl]piperidine
CID 84786963
3-[(5-chloro-3,4-dimethoxy-2-methylphenyl)methyl]piperidine
CID 117456363
3-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117413184
3-[(3-tert-butyl-2,5-dimethoxyphenyl)methyl]piperidine
CID 117470959
3-[(2-fluoro-5-methoxy-4-methylphenyl)methyl]piperidine
CID 84798639
3-[(2-methoxyphenyl)methyl]piperidine
CID 5005916
4-methoxy-2-methyl-6-(piperidin-3-ylmethyl)pyridine
CID 104680585
2,3,6-trimethyl-4-(piperidin-3-ylmethyl)phenol
CID 117117997
3-[(4-fluoro-2-methoxyphenyl)methyl]piperidine
CID 84789117
3-[(6-methoxy-1,3-dihydro-2-benzofuran-5-yl)methyl]piperidine
CID 117371537
3-[(4-methoxy-6-methyl-2-pyridinyl)methyl]azepane
CID 104680701
3-[(5-fluoro-2-methoxy-3-methylphenyl)methyl]piperidine
CID 84798660

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethoxy-2-methylphenyl)methyl]piperidine?
The IUPAC name of 3-[(3,5-dimethoxy-2-methylphenyl)methyl]piperidine (CID 117377185) is 3-[(3,5-dimethoxy-2-methylphenyl)methyl]piperidine.
What is the SMILES notation for 3-[(3,5-dimethoxy-2-methylphenyl)methyl]piperidine?
The canonical SMILES for 3-[(3,5-dimethoxy-2-methylphenyl)methyl]piperidine is COc1cc(CC2CCCNC2)c(C)c(OC)c1.
What is the InChIKey of 3-[(3,5-dimethoxy-2-methylphenyl)methyl]piperidine?
The InChIKey is YEXOUWKENONBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-13(7-12-5-4-6-16-10-12)8-14(17-2)9-15(11)18-3/h8-9,12,16H,4-7,10H2,1-3H3.
What are the key properties of 3-[(3,5-dimethoxy-2-methylphenyl)methyl]piperidine?
3-[(3,5-dimethoxy-2-methylphenyl)methyl]piperidine has a molecular weight of 249.35 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethoxy-2-methylphenyl)methyl]piperidine is sourced from PubChem (CID 117377185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).