4-(3,4-diethoxyphenyl)-3-methylpiperidin-4-ol

C16H25NO3 — CID 114501902

IUPAC4-(3,4-diethoxyphenyl)-3-methylpiperidin-4-ol
SMILESCCOc1ccc(C2(O)CCNCC2C)cc1OCC
InChIInChI=1S/C16H25NO3/c1-4-19-14-7-6-13(10-15(14)20-5-2)16(18)8-9-17-11-12(16)3/h6-7,10,12,17-18H,4-5,8-9,11H2,1-3H3
InChIKeyYLPMLOQPBHSHQE-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.30
Rot. Bonds5

About 4-(3,4-diethoxyphenyl)-3-methylpiperidin-4-ol

4-(3,4-diethoxyphenyl)-3-methylpiperidin-4-ol (PubChem CID 114501902) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-(3,4-diethoxyphenyl)-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-(3,4-diethoxyphenyl)-3-methylpiperidin-4-ol
PubChem CID114501902
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name4-(3,4-diethoxyphenyl)-3-methylpiperidin-4-ol
SMILESCCOc1ccc(C2(O)CCNCC2C)cc1OCC
InChIInChI=1S/C16H25NO3/c1-4-19-14-7-6-13(10-15(14)20-5-2)16(18)8-9-17-11-12(16)3/h6-7,10,12,17-18H,4-5,8-9,11H2,1-3H3
InChIKeyYLPMLOQPBHSHQE-UHFFFAOYSA-N
XLogP2.30
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(3,4-diethoxyphenyl)-3-methylpiperidin-4-ol 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-(3,4-diethoxyphenyl)-2,3-dimethylcyclohexan-1-ol
CID 64756632
4-(4-chlorophenyl)-3-methylpiperidin-4-ol
CID 23137070
3-(3,4-diethoxyphenyl)-3-fluoropyrrolidine
CID 112564446
3-methyl-4-(6-methyl-3-pyridinyl)piperidin-4-ol
CID 114501836
1-(3,4-diethoxyphenyl)-3,5-dimethylcyclohexan-1-ol
CID 64735758
1-(3,4-diethoxyphenyl)-3,4-dimethylcyclohexan-1-ol
CID 64746862
1-(3,4-diethoxyphenyl)cyclopropan-1-amine
CID 116989285
1-(3,4-diethoxyphenyl)-4-methylcyclohexan-1-amine
CID 62788660
3-(3,4-diethoxyphenyl)-3-methylcyclopentan-1-one
CID 116538472
2-(3,4-diethoxyphenyl)-2-ethylpyrrolidine
CID 66465326
(3aR,6S,7aS)-3a-(3,4-diethoxyphenyl)-1,2,3,6,7,7a-hexahydroindol-6-ol
CID 176591959
1-(3,4-diethoxyphenyl)-4-methylcycloheptan-1-amine
CID 65081082

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-diethoxyphenyl)-3-methylpiperidin-4-ol?
The IUPAC name of 4-(3,4-diethoxyphenyl)-3-methylpiperidin-4-ol (CID 114501902) is 4-(3,4-diethoxyphenyl)-3-methylpiperidin-4-ol.
What is the SMILES notation for 4-(3,4-diethoxyphenyl)-3-methylpiperidin-4-ol?
The canonical SMILES for 4-(3,4-diethoxyphenyl)-3-methylpiperidin-4-ol is CCOc1ccc(C2(O)CCNCC2C)cc1OCC.
What is the InChIKey of 4-(3,4-diethoxyphenyl)-3-methylpiperidin-4-ol?
The InChIKey is YLPMLOQPBHSHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-4-19-14-7-6-13(10-15(14)20-5-2)16(18)8-9-17-11-12(16)3/h6-7,10,12,17-18H,4-5,8-9,11H2,1-3H3.
What are the key properties of 4-(3,4-diethoxyphenyl)-3-methylpiperidin-4-ol?
4-(3,4-diethoxyphenyl)-3-methylpiperidin-4-ol has a molecular weight of 279.38 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-diethoxyphenyl)-3-methylpiperidin-4-ol is sourced from PubChem (CID 114501902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).