1-[2-(4-methoxyphenyl)ethyl]-3-methylpiperidin-3-ol

C15H23NO2 — CID 115873746

IUPAC1-[2-(4-methoxyphenyl)ethyl]-3-methylpiperidin-3-ol
SMILESCOc1ccc(CCN2CCCC(C)(O)C2)cc1
InChIInChI=1S/C15H23NO2/c1-15(17)9-3-10-16(12-15)11-8-13-4-6-14(18-2)7-5-13/h4-7,17H,3,8-12H2,1-2H3
InChIKeyVSRCKXRQDPVWCN-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.08
Rot. Bonds4

About 1-[2-(4-methoxyphenyl)ethyl]-3-methylpiperidin-3-ol

1-[2-(4-methoxyphenyl)ethyl]-3-methylpiperidin-3-ol (PubChem CID 115873746) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-3-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-3-methylpiperidin-3-ol
PubChem CID115873746
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-3-methylpiperidin-3-ol
SMILESCOc1ccc(CCN2CCCC(C)(O)C2)cc1
InChIInChI=1S/C15H23NO2/c1-15(17)9-3-10-16(12-15)11-8-13-4-6-14(18-2)7-5-13/h4-7,17H,3,8-12H2,1-2H3
InChIKeyVSRCKXRQDPVWCN-UHFFFAOYSA-N
XLogP2.08
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-methoxyphenyl)ethyl]-3-methylpyrrolidin-3-ol
CID 103728682
3-ethyl-1-[2-(4-methoxyphenyl)ethyl]-3-methylpiperazine
CID 64923987
3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol
CID 115873813
1-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylpiperidin-4-amine
CID 120775320
(1-hydroxycyclopentyl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone
CID 110908412
4-methyl-1-(2-phenylethyl)azepan-4-ol
CID 107408153
1-[2-(4-methoxyphenyl)ethyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol
CID 154756940
3-methyl-1-(3-naphthalen-2-yloxypropyl)piperidin-3-ol
CID 146124310
1-[2-(4-methoxyphenyl)ethyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984211
3-[4-[2-(4-methoxyphenyl)ethyl]-1,4-diazepan-1-yl]propan-1-amine
CID 65431024
(3R)-1-[[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-3-methylpiperidin-3-ol
CID 99955193
1-[3-(4-methoxyphenyl)propyl]piperidine
CID 42640027

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-methylpiperidin-3-ol?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-methylpiperidin-3-ol (CID 115873746) is 1-[2-(4-methoxyphenyl)ethyl]-3-methylpiperidin-3-ol.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-3-methylpiperidin-3-ol?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-3-methylpiperidin-3-ol is COc1ccc(CCN2CCCC(C)(O)C2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-3-methylpiperidin-3-ol?
The InChIKey is VSRCKXRQDPVWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-15(17)9-3-10-16(12-15)11-8-13-4-6-14(18-2)7-5-13/h4-7,17H,3,8-12H2,1-2H3.
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-3-methylpiperidin-3-ol?
1-[2-(4-methoxyphenyl)ethyl]-3-methylpiperidin-3-ol has a molecular weight of 249.35 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-3-methylpiperidin-3-ol is sourced from PubChem (CID 115873746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).