4-[(2,3-dimethoxy-5-methylphenyl)methyl]piperidine

C15H23NO2 — CID 117377234

IUPAC4-[(2,3-dimethoxy-5-methylphenyl)methyl]piperidine
SMILESCOc1cc(C)cc(CC2CCNCC2)c1OC
InChIInChI=1S/C15H23NO2/c1-11-8-13(10-12-4-6-16-7-5-12)15(18-3)14(9-11)17-2/h8-9,12,16H,4-7,10H2,1-3H3
InChIKeyQSNBMTZQKQXQOW-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.55
Rot. Bonds4

About 4-[(2,3-dimethoxy-5-methylphenyl)methyl]piperidine

4-[(2,3-dimethoxy-5-methylphenyl)methyl]piperidine (PubChem CID 117377234) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-[(2,3-dimethoxy-5-methylphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(2,3-dimethoxy-5-methylphenyl)methyl]piperidine
PubChem CID117377234
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-[(2,3-dimethoxy-5-methylphenyl)methyl]piperidine
SMILESCOc1cc(C)cc(CC2CCNCC2)c1OC
InChIInChI=1S/C15H23NO2/c1-11-8-13(10-12-4-6-16-7-5-12)15(18-3)14(9-11)17-2/h8-9,12,16H,4-7,10H2,1-3H3
InChIKeyQSNBMTZQKQXQOW-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

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Related Compounds

4-[(2-bromo-3-methoxy-5-methylphenyl)methyl]piperidine
CID 84815999
4-[(5-fluoro-2,3-dimethoxyphenyl)methyl]piperidine
CID 117386378
3,4-dimethoxy-5-(piperidin-4-ylmethyl)phenol
CID 117381520
4-[[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]methyl]piperidine
CID 117455594
4-[(2-bromo-6-methoxy-4-methylphenyl)methyl]piperidine
CID 84815988
3-[(3-bromo-2-methoxy-5-methylphenyl)methyl]pyrrolidine
CID 84812895
4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386379
4-[(5-fluoro-2-methoxy-4-methylphenyl)methyl]piperidine
CID 84798681
5-methoxy-4-methyl-2-(piperidin-4-ylmethyl)phenol
CID 84797533
4-[(3-bromo-2-methoxy-4,5-dimethylphenyl)methyl]piperidine
CID 117497390
4-[(5-chloro-2-methoxy-4-methylphenyl)methyl]piperidine
CID 82298661
4-[(5-chloro-3-methoxy-2-methylphenyl)methyl]piperidine
CID 117387723

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethoxy-5-methylphenyl)methyl]piperidine?
The IUPAC name of 4-[(2,3-dimethoxy-5-methylphenyl)methyl]piperidine (CID 117377234) is 4-[(2,3-dimethoxy-5-methylphenyl)methyl]piperidine.
What is the SMILES notation for 4-[(2,3-dimethoxy-5-methylphenyl)methyl]piperidine?
The canonical SMILES for 4-[(2,3-dimethoxy-5-methylphenyl)methyl]piperidine is COc1cc(C)cc(CC2CCNCC2)c1OC.
What is the InChIKey of 4-[(2,3-dimethoxy-5-methylphenyl)methyl]piperidine?
The InChIKey is QSNBMTZQKQXQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-8-13(10-12-4-6-16-7-5-12)15(18-3)14(9-11)17-2/h8-9,12,16H,4-7,10H2,1-3H3.
What are the key properties of 4-[(2,3-dimethoxy-5-methylphenyl)methyl]piperidine?
4-[(2,3-dimethoxy-5-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 4-[(2,3-dimethoxy-5-methylphenyl)methyl]piperidine is sourced from PubChem (CID 117377234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).