3-[(2,4-dimethoxyphenyl)methyl]-1-methylpiperidin-4-ol

C15H23NO3 — CID 110539908

IUPAC3-[(2,4-dimethoxyphenyl)methyl]-1-methylpiperidin-4-ol
SMILESCOc1ccc(CC2CN(C)CCC2O)c(OC)c1
InChIInChI=1S/C15H23NO3/c1-16-7-6-14(17)12(10-16)8-11-4-5-13(18-2)9-15(11)19-3/h4-5,9,12,14,17H,6-8,10H2,1-3H3
InChIKeyYCNPWNOYKFXWKS-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.56
Rot. Bonds4

About 3-[(2,4-dimethoxyphenyl)methyl]-1-methylpiperidin-4-ol

3-[(2,4-dimethoxyphenyl)methyl]-1-methylpiperidin-4-ol (PubChem CID 110539908) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-[(2,4-dimethoxyphenyl)methyl]-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name3-[(2,4-dimethoxyphenyl)methyl]-1-methylpiperidin-4-ol
PubChem CID110539908
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-[(2,4-dimethoxyphenyl)methyl]-1-methylpiperidin-4-ol
SMILESCOc1ccc(CC2CN(C)CCC2O)c(OC)c1
InChIInChI=1S/C15H23NO3/c1-16-7-6-14(17)12(10-16)8-11-4-5-13(18-2)9-15(11)19-3/h4-5,9,12,14,17H,6-8,10H2,1-3H3
InChIKeyYCNPWNOYKFXWKS-UHFFFAOYSA-N
XLogP1.56
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60856902
N-[(2,4-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 2838290
3-[(2,4-diethoxyphenyl)methyl]-1-propylpiperidin-4-ol
CID 110537539
(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-ol
CID 754063
1-propyl-3-[(2,4,5-trimethoxyphenyl)methyl]piperidin-4-ol
CID 110537453
1-[(3R)-1-cyclopropylpyrrolidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]methanamine
CID 93302744
3-[(2,4-dimethoxyphenyl)methyl]-1-(2-phenylpropan-2-yl)piperidine
CID 174945032
2-[(2,4-dimethoxyphenyl)methyl]piperidine
CID 62800646
1,2-bis[2-(2,4-dimethoxyphenyl)ethyl]pyrazolidin-4-amine
CID 20519799
(3R)-N-[(2,4-dimethoxyphenyl)methyl]-3-methylpiperidine-1-carboxamide
CID 95663808
(1S,5R)-N-[(2,4-dimethoxyphenyl)methyl]-8-hydroxy-3-azabicyclo[3.2.1]octane-3-carboxamide
CID 119071131
(3S,4R)-1-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-amine
CID 124744617

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethoxyphenyl)methyl]-1-methylpiperidin-4-ol?
The IUPAC name of 3-[(2,4-dimethoxyphenyl)methyl]-1-methylpiperidin-4-ol (CID 110539908) is 3-[(2,4-dimethoxyphenyl)methyl]-1-methylpiperidin-4-ol.
What is the SMILES notation for 3-[(2,4-dimethoxyphenyl)methyl]-1-methylpiperidin-4-ol?
The canonical SMILES for 3-[(2,4-dimethoxyphenyl)methyl]-1-methylpiperidin-4-ol is COc1ccc(CC2CN(C)CCC2O)c(OC)c1.
What is the InChIKey of 3-[(2,4-dimethoxyphenyl)methyl]-1-methylpiperidin-4-ol?
The InChIKey is YCNPWNOYKFXWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-16-7-6-14(17)12(10-16)8-11-4-5-13(18-2)9-15(11)19-3/h4-5,9,12,14,17H,6-8,10H2,1-3H3.
What are the key properties of 3-[(2,4-dimethoxyphenyl)methyl]-1-methylpiperidin-4-ol?
3-[(2,4-dimethoxyphenyl)methyl]-1-methylpiperidin-4-ol has a molecular weight of 265.35 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethoxyphenyl)methyl]-1-methylpiperidin-4-ol is sourced from PubChem (CID 110539908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).