1-(3-methoxyphenyl)-2-(4-methylpiperidin-2-yl)ethanol

C15H23NO2 — CID 116685633

IUPAC1-(3-methoxyphenyl)-2-(4-methylpiperidin-2-yl)ethanol
SMILESCOc1cccc(C(O)CC2CC(C)CCN2)c1
InChIInChI=1S/C15H23NO2/c1-11-6-7-16-13(8-11)10-15(17)12-4-3-5-14(9-12)18-2/h3-5,9,11,13,15-17H,6-8,10H2,1-2H3
InChIKeyRUYJBOBXUVJMPG-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.51
Rot. Bonds4

About 1-(3-methoxyphenyl)-2-(4-methylpiperidin-2-yl)ethanol

1-(3-methoxyphenyl)-2-(4-methylpiperidin-2-yl)ethanol (PubChem CID 116685633) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-(4-methylpiperidin-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-(4-methylpiperidin-2-yl)ethanol
PubChem CID116685633
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-(3-methoxyphenyl)-2-(4-methylpiperidin-2-yl)ethanol
SMILESCOc1cccc(C(O)CC2CC(C)CCN2)c1
InChIInChI=1S/C15H23NO2/c1-11-6-7-16-13(8-11)10-15(17)12-4-3-5-14(9-12)18-2/h3-5,9,11,13,15-17H,6-8,10H2,1-2H3
InChIKeyRUYJBOBXUVJMPG-UHFFFAOYSA-N
XLogP2.51
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylphenyl)-2-(4-methylpiperidin-2-yl)ethanol
CID 116685638
2-(4-methylpiperidin-2-yl)-1-(4-methylsulfonylphenyl)ethanol
CID 116685768
2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-propan-2-ylcyclohexan-1-ol
CID 81134950
2-(4-ethylpiperidin-2-yl)-1-(3-methylphenyl)ethanol
CID 114425978
2-[2-(3-methoxyphenyl)propyl]piperidine
CID 105493505
1-(3-methoxyphenyl)-2-[(2-methylcyclopropyl)amino]ethanol
CID 81133622
1-(3-methoxyphenyl)-2-[methyl(piperidin-4-yl)amino]ethanol
CID 81133297
(1R)-1-(3-methoxyphenyl)-2-[(2R)-1-methylpyrrolidin-2-yl]ethanol;hydrochloride
CID 70591371
1-(3-methylphenyl)-2-pyrrolidin-2-ylethanol
CID 79559902
(3-methoxyphenyl)-[(2S)-piperidin-2-yl]methanol
CID 69187424
2-(2,6-dimethylpiperazin-1-yl)-1-(3-methoxyphenyl)ethanol
CID 81133921
1-(3-chlorophenyl)-2-piperidin-2-ylethanol
CID 79559914

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-(4-methylpiperidin-2-yl)ethanol?
The IUPAC name of 1-(3-methoxyphenyl)-2-(4-methylpiperidin-2-yl)ethanol (CID 116685633) is 1-(3-methoxyphenyl)-2-(4-methylpiperidin-2-yl)ethanol.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-(4-methylpiperidin-2-yl)ethanol?
The canonical SMILES for 1-(3-methoxyphenyl)-2-(4-methylpiperidin-2-yl)ethanol is COc1cccc(C(O)CC2CC(C)CCN2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-(4-methylpiperidin-2-yl)ethanol?
The InChIKey is RUYJBOBXUVJMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-6-7-16-13(8-11)10-15(17)12-4-3-5-14(9-12)18-2/h3-5,9,11,13,15-17H,6-8,10H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-2-(4-methylpiperidin-2-yl)ethanol?
1-(3-methoxyphenyl)-2-(4-methylpiperidin-2-yl)ethanol has a molecular weight of 249.35 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-(4-methylpiperidin-2-yl)ethanol is sourced from PubChem (CID 116685633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).