3-(3,4-diethoxyphenyl)-5-methylpiperidine

C16H25NO2 — CID 115375240

IUPAC3-(3,4-diethoxyphenyl)-5-methylpiperidine
SMILESCCOc1ccc(C2CNCC(C)C2)cc1OCC
InChIInChI=1S/C16H25NO2/c1-4-18-15-7-6-13(9-16(15)19-5-2)14-8-12(3)10-17-11-14/h6-7,9,12,14,17H,4-5,8,10-11H2,1-3H3
InChIKeyZSARMVASKXNWKG-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.20
Rot. Bonds5

About 3-(3,4-diethoxyphenyl)-5-methylpiperidine

3-(3,4-diethoxyphenyl)-5-methylpiperidine (PubChem CID 115375240) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-(3,4-diethoxyphenyl)-5-methylpiperidine.

Molecular Properties

Compound Name3-(3,4-diethoxyphenyl)-5-methylpiperidine
PubChem CID115375240
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-(3,4-diethoxyphenyl)-5-methylpiperidine
SMILESCCOc1ccc(C2CNCC(C)C2)cc1OCC
InChIInChI=1S/C16H25NO2/c1-4-18-15-7-6-13(9-16(15)19-5-2)14-8-12(3)10-17-11-14/h6-7,9,12,14,17H,4-5,8,10-11H2,1-3H3
InChIKeyZSARMVASKXNWKG-UHFFFAOYSA-N
XLogP3.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-ethoxy-4-methoxyphenyl)pyrrolidine
CID 116989297
4-(3,4-diethoxyphenyl)cyclohexan-1-ol
CID 116989261
3-(4-but-3-enoxy-3-ethoxyphenyl)piperidine
CID 117100261
(2S)-2-(4-ethoxy-3-methoxyphenyl)aziridine
CID 55263976
3-(3,4-dimethoxyphenyl)azetidine
CID 75355862
(4S)-4-(3-ethoxy-4-methoxyphenyl)pyrrolidin-2-one
CID 53237458
4-(3,4-diethoxyphenyl)azetidin-2-one
CID 131885056
3-(3,5-difluorophenyl)-5-methylpiperidine
CID 115375231
2-(4-ethoxy-3-methylphenyl)-4-methylazetidine
CID 116821986
2-(2-ethoxy-4-piperidin-3-ylphenoxy)propanamide
CID 117100260
3-(3,4-diethoxyphenyl)-2-methylcyclopentan-1-amine
CID 64908099
2-(3,4-diethoxyphenyl)piperidine
CID 4544824

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-diethoxyphenyl)-5-methylpiperidine?
The IUPAC name of 3-(3,4-diethoxyphenyl)-5-methylpiperidine (CID 115375240) is 3-(3,4-diethoxyphenyl)-5-methylpiperidine.
What is the SMILES notation for 3-(3,4-diethoxyphenyl)-5-methylpiperidine?
The canonical SMILES for 3-(3,4-diethoxyphenyl)-5-methylpiperidine is CCOc1ccc(C2CNCC(C)C2)cc1OCC.
What is the InChIKey of 3-(3,4-diethoxyphenyl)-5-methylpiperidine?
The InChIKey is ZSARMVASKXNWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-18-15-7-6-13(9-16(15)19-5-2)14-8-12(3)10-17-11-14/h6-7,9,12,14,17H,4-5,8,10-11H2,1-3H3.
What are the key properties of 3-(3,4-diethoxyphenyl)-5-methylpiperidine?
3-(3,4-diethoxyphenyl)-5-methylpiperidine has a molecular weight of 263.38 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-diethoxyphenyl)-5-methylpiperidine is sourced from PubChem (CID 115375240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).