1-propyl-3-[(2,4,5-trimethoxyphenyl)methyl]piperidin-4-ol

C18H29NO4 — CID 110537453

IUPAC1-propyl-3-[(2,4,5-trimethoxyphenyl)methyl]piperidin-4-ol
SMILESCCCN1CCC(O)C(Cc2cc(OC)c(OC)cc2OC)C1
InChIInChI=1S/C18H29NO4/c1-5-7-19-8-6-15(20)14(12-19)9-13-10-17(22-3)18(23-4)11-16(13)21-2/h10-11,14-15,20H,5-9,12H2,1-4H3
InChIKeyOHIRHMDMKUDUOK-UHFFFAOYSA-N
MW323.43 g/mol
LogP2.35
Rot. Bonds7

About 1-propyl-3-[(2,4,5-trimethoxyphenyl)methyl]piperidin-4-ol

1-propyl-3-[(2,4,5-trimethoxyphenyl)methyl]piperidin-4-ol (PubChem CID 110537453) has the molecular formula C18H29NO4 and a molecular weight of 323.43 g/mol. Its IUPAC name is 1-propyl-3-[(2,4,5-trimethoxyphenyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-propyl-3-[(2,4,5-trimethoxyphenyl)methyl]piperidin-4-ol
PubChem CID110537453
Molecular FormulaC18H29NO4
Molecular Weight323.43 g/mol
Exact Mass323.21
IUPAC Name1-propyl-3-[(2,4,5-trimethoxyphenyl)methyl]piperidin-4-ol
SMILESCCCN1CCC(O)C(Cc2cc(OC)c(OC)cc2OC)C1
InChIInChI=1S/C18H29NO4/c1-5-7-19-8-6-15(20)14(12-19)9-13-10-17(22-3)18(23-4)11-16(13)21-2/h10-11,14-15,20H,5-9,12H2,1-4H3
InChIKeyOHIRHMDMKUDUOK-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 1-propyl-3-[(2,4,5-trimethoxyphenyl)methyl]piperidin-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-[(2,4-diethoxyphenyl)methyl]-1-propylpiperidin-4-ol
CID 110537539
1-ethyl-3-[(2-methoxyphenyl)methyl]piperidin-4-ol
CID 110540222
2-[(4-hydroxy-1-propylpiperidin-3-yl)methyl]benzoic acid
CID 110539552
3-[(3-chloro-4-ethoxyphenyl)methyl]-1-propylpiperidin-4-ol
CID 110538030
3-[(2,4-dimethoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110539908
3-[(3,4-dichlorophenyl)methyl]-1-propylpiperidin-4-ol
CID 110538491
3-[(2-chloro-4-nonoxyphenyl)methyl]-1-propylpiperidin-4-ol
CID 110531882
3-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-1-ethylpiperidin-4-ol
CID 110537452
3-[(3,5-dichloro-2,4-dimethoxyphenyl)methyl]-1-ethylpiperidin-4-ol
CID 110535975
3-[(2,4-diethoxyphenyl)methyl]-1-ethylpiperidin-4-ol
CID 110538254
3-[(3-amino-5-methoxy-4-propoxyphenyl)methyl]-1-ethylpiperidin-4-ol
CID 110535671
3-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-propylpiperidin-4-ol
CID 110534149

Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-[(2,4,5-trimethoxyphenyl)methyl]piperidin-4-ol?
The IUPAC name of 1-propyl-3-[(2,4,5-trimethoxyphenyl)methyl]piperidin-4-ol (CID 110537453) is 1-propyl-3-[(2,4,5-trimethoxyphenyl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-propyl-3-[(2,4,5-trimethoxyphenyl)methyl]piperidin-4-ol?
The canonical SMILES for 1-propyl-3-[(2,4,5-trimethoxyphenyl)methyl]piperidin-4-ol is CCCN1CCC(O)C(Cc2cc(OC)c(OC)cc2OC)C1.
What is the InChIKey of 1-propyl-3-[(2,4,5-trimethoxyphenyl)methyl]piperidin-4-ol?
The InChIKey is OHIRHMDMKUDUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO4/c1-5-7-19-8-6-15(20)14(12-19)9-13-10-17(22-3)18(23-4)11-16(13)21-2/h10-11,14-15,20H,5-9,12H2,1-4H3.
What are the key properties of 1-propyl-3-[(2,4,5-trimethoxyphenyl)methyl]piperidin-4-ol?
1-propyl-3-[(2,4,5-trimethoxyphenyl)methyl]piperidin-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 1-propyl-3-[(2,4,5-trimethoxyphenyl)methyl]piperidin-4-ol is sourced from PubChem (CID 110537453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).