1-(2-methoxy-5-methylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol

C17H27NO2 — CID 82073865

IUPAC1-(2-methoxy-5-methylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
SMILESCOc1ccc(C)cc1C(O)CCN1CCC(C)CC1
InChIInChI=1S/C17H27NO2/c1-13-6-9-18(10-7-13)11-8-16(19)15-12-14(2)4-5-17(15)20-3/h4-5,12-13,16,19H,6-11H2,1-3H3
InChIKeyAQCYWLIDCQFQAU-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.16
Rot. Bonds5

About 1-(2-methoxy-5-methylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol

1-(2-methoxy-5-methylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol (PubChem CID 82073865) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
PubChem CID82073865
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-(2-methoxy-5-methylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
SMILESCOc1ccc(C)cc1C(O)CCN1CCC(C)CC1
InChIInChI=1S/C17H27NO2/c1-13-6-9-18(10-7-13)11-8-16(19)15-12-14(2)4-5-17(15)20-3/h4-5,12-13,16,19H,6-11H2,1-3H3
InChIKeyAQCYWLIDCQFQAU-UHFFFAOYSA-N
XLogP3.16
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60980968
3-(3,5-dimethylpiperidin-1-yl)-1-(2-ethoxy-5-methylphenyl)propan-1-ol
CID 82073989
3-(azepan-1-yl)-1-(2,5-dimethoxyphenyl)propan-1-ol
CID 82105585
1-(2-methoxy-5-methylphenyl)-2-(3-propylpyrrolidin-1-yl)ethanol
CID 115667609
1-(2-methoxy-5-methylphenyl)pentan-1-ol
CID 61080930
1-(3,4-diethoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 82073664
2-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 63633648
1-(aziridin-1-yl)-5-hydroxy-5-(2-methoxy-5-methylphenyl)pentan-1-one
CID 112510811
1-(2,5-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 82093877
1-(2-methoxy-5-methylphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanol
CID 62545228
1-(2-methoxy-5-methylphenyl)decan-1-ol
CID 65427724
1-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 82021677

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol (CID 82073865) is 1-(2-methoxy-5-methylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol is COc1ccc(C)cc1C(O)CCN1CCC(C)CC1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol?
The InChIKey is AQCYWLIDCQFQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13-6-9-18(10-7-13)11-8-16(19)15-12-14(2)4-5-17(15)20-3/h4-5,12-13,16,19H,6-11H2,1-3H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol?
1-(2-methoxy-5-methylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol is sourced from PubChem (CID 82073865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).