3-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine

C15H23NO2 — CID 159964703

IUPAC3-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine
SMILESCOc1cc(C2CCCNC2C)c(OC)cc1C
InChIInChI=1S/C15H23NO2/c1-10-8-15(18-4)13(9-14(10)17-3)12-6-5-7-16-11(12)2/h8-9,11-12,16H,5-7H2,1-4H3
InChIKeyZGUMEHHBBIIIFB-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.87
Rot. Bonds3

About 3-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine

3-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine (PubChem CID 159964703) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine.

Molecular Properties

Compound Name3-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine
PubChem CID159964703
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine
SMILESCOc1cc(C2CCCNC2C)c(OC)cc1C
InChIInChI=1S/C15H23NO2/c1-10-8-15(18-4)13(9-14(10)17-3)12-6-5-7-16-11(12)2/h8-9,11-12,16H,5-7H2,1-4H3
InChIKeyZGUMEHHBBIIIFB-UHFFFAOYSA-N
XLogP2.87
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(2,5-dimethoxy-4-methylphenyl)piperidine
CID 96674039
2-(2-fluoro-5-methoxy-4-methylphenyl)piperidine
CID 84789182
(2S,5S)-5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;(2R,5S)-5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;dihydrochloride
CID 161209147
(4-methoxy-2,5-dimethylphenyl)-pyrrolidin-2-ylmethanone
CID 82049099
2-(4-methoxy-2,3,6-trimethylphenyl)pyrrolidine
CID 116962291
2-(2,4,5-trimethoxyphenyl)azepane
CID 62543409
(3S)-3-(2,5-dimethoxy-4-methylphenyl)-1-methylpiperidine;(3S)-3-(2,5-dimethoxy-4-methylphenyl)piperidine;hydrochloride
CID 160731871
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
2,5-dimethoxy-N,N-dimethyl-4-pyrrolidin-2-ylaniline
CID 117379645
(2S)-2-(4,5-dimethoxy-2-methylphenyl)aziridine
CID 55263982
2-(2-methoxy-4,5-dimethylphenyl)-3-methylazetidine
CID 116822126
7-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[h]quinoline
CID 83887769

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine?
The IUPAC name of 3-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine (CID 159964703) is 3-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine.
What is the SMILES notation for 3-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine?
The canonical SMILES for 3-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine is COc1cc(C2CCCNC2C)c(OC)cc1C.
What is the InChIKey of 3-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine?
The InChIKey is ZGUMEHHBBIIIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10-8-15(18-4)13(9-14(10)17-3)12-6-5-7-16-11(12)2/h8-9,11-12,16H,5-7H2,1-4H3.
What are the key properties of 3-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine?
3-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine has a molecular weight of 249.35 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine is sourced from PubChem (CID 159964703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).