3-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-1-ethylpiperidin-4-ol

C18H29NO4 — CID 110537452

IUPAC3-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-1-ethylpiperidin-4-ol
SMILESCCOc1c(OC)cc(CC2CN(CC)CCC2O)cc1OC
InChIInChI=1S/C18H29NO4/c1-5-19-8-7-15(20)14(12-19)9-13-10-16(21-3)18(23-6-2)17(11-13)22-4/h10-11,14-15,20H,5-9,12H2,1-4H3
InChIKeyASBUMGBRACTVHT-UHFFFAOYSA-N
MW323.43 g/mol
LogP2.35
Rot. Bonds7

About 3-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-1-ethylpiperidin-4-ol

3-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-1-ethylpiperidin-4-ol (PubChem CID 110537452) has the molecular formula C18H29NO4 and a molecular weight of 323.43 g/mol. Its IUPAC name is 3-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-1-ethylpiperidin-4-ol.

Molecular Properties

Compound Name3-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-1-ethylpiperidin-4-ol
PubChem CID110537452
Molecular FormulaC18H29NO4
Molecular Weight323.43 g/mol
Exact Mass323.21
IUPAC Name3-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-1-ethylpiperidin-4-ol
SMILESCCOc1c(OC)cc(CC2CN(CC)CCC2O)cc1OC
InChIInChI=1S/C18H29NO4/c1-5-19-8-7-15(20)14(12-19)9-13-10-16(21-3)18(23-6-2)17(11-13)22-4/h10-11,14-15,20H,5-9,12H2,1-4H3
InChIKeyASBUMGBRACTVHT-UHFFFAOYSA-N
XLogP2.35
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-1-ethylpiperidin-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

3-[(3-amino-5-methoxy-4-propoxyphenyl)methyl]-1-ethylpiperidin-4-ol
CID 110535671
3-[(3-amino-5-methoxy-4-propan-2-yloxyphenyl)methyl]-1-ethylpiperidin-4-ol
CID 110535672
3-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethylpiperidin-4-ol
CID 110530591
1-ethyl-3-[(2-methoxyphenyl)methyl]piperidin-4-ol
CID 110540222
3-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110535252
3-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110537925
1-ethyl-3-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]piperidin-4-ol
CID 110534393
3-[(2,4-diethoxyphenyl)methyl]-1-ethylpiperidin-4-ol
CID 110538254
3-[(3,5-dichloro-2,4-dimethoxyphenyl)methyl]-1-ethylpiperidin-4-ol
CID 110535975
3-[(3-bromo-4-hydroxyphenyl)methyl]-1-ethylpiperidin-4-ol
CID 110537918
3-[[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]methyl]-1-ethylpiperidin-4-ol
CID 110532589
1-propyl-3-[(2,4,5-trimethoxyphenyl)methyl]piperidin-4-ol
CID 110537453

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-1-ethylpiperidin-4-ol?
The IUPAC name of 3-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-1-ethylpiperidin-4-ol (CID 110537452) is 3-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-1-ethylpiperidin-4-ol.
What is the SMILES notation for 3-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-1-ethylpiperidin-4-ol?
The canonical SMILES for 3-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-1-ethylpiperidin-4-ol is CCOc1c(OC)cc(CC2CN(CC)CCC2O)cc1OC.
What is the InChIKey of 3-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-1-ethylpiperidin-4-ol?
The InChIKey is ASBUMGBRACTVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO4/c1-5-19-8-7-15(20)14(12-19)9-13-10-16(21-3)18(23-6-2)17(11-13)22-4/h10-11,14-15,20H,5-9,12H2,1-4H3.
What are the key properties of 3-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-1-ethylpiperidin-4-ol?
3-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-1-ethylpiperidin-4-ol has a molecular weight of 323.43 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-1-ethylpiperidin-4-ol is sourced from PubChem (CID 110537452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).