2-(3-methoxypiperidin-1-yl)-1-(4-propylphenyl)ethanol

C17H27NO2 — CID 102966119

IUPAC2-(3-methoxypiperidin-1-yl)-1-(4-propylphenyl)ethanol
SMILESCCCc1ccc(C(O)CN2CCCC(OC)C2)cc1
InChIInChI=1S/C17H27NO2/c1-3-5-14-7-9-15(10-8-14)17(19)13-18-11-4-6-16(12-18)20-2/h7-10,16-17,19H,3-6,11-13H2,1-2H3
InChIKeyUJSWXDBIIMRKIC-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.78
Rot. Bonds6

About 2-(3-methoxypiperidin-1-yl)-1-(4-propylphenyl)ethanol

2-(3-methoxypiperidin-1-yl)-1-(4-propylphenyl)ethanol (PubChem CID 102966119) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(3-methoxypiperidin-1-yl)-1-(4-propylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-methoxypiperidin-1-yl)-1-(4-propylphenyl)ethanol
PubChem CID102966119
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-(3-methoxypiperidin-1-yl)-1-(4-propylphenyl)ethanol
SMILESCCCc1ccc(C(O)CN2CCCC(OC)C2)cc1
InChIInChI=1S/C17H27NO2/c1-3-5-14-7-9-15(10-8-14)17(19)13-18-11-4-6-16(12-18)20-2/h7-10,16-17,19H,3-6,11-13H2,1-2H3
InChIKeyUJSWXDBIIMRKIC-UHFFFAOYSA-N
XLogP2.78
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-propylphenyl)ethanol
CID 115561354
2-(3,4-dimethylpiperazin-1-yl)-1-(4-propylphenyl)ethanol
CID 63635565
1-(4-fluorophenyl)-3-(3-methoxypiperidin-1-yl)propan-1-ol
CID 102967568
1-(4-propylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanol
CID 114539064
2-(2-ethylazepan-1-yl)-1-(4-propylphenyl)ethanol
CID 104691439
1-(4-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 54944956
2-(3-methylpiperidin-1-yl)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 60981654
1-(4-ethylphenyl)-2-pyrrolidin-1-ylethanol
CID 56686959
1-(4-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanol
CID 106586078
1-(3-methoxypiperidin-1-yl)-3,3-dimethylbutan-2-ol
CID 102966089
2-(3-methylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol
CID 54944272
1-(4-methoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanol
CID 54944641

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypiperidin-1-yl)-1-(4-propylphenyl)ethanol?
The IUPAC name of 2-(3-methoxypiperidin-1-yl)-1-(4-propylphenyl)ethanol (CID 102966119) is 2-(3-methoxypiperidin-1-yl)-1-(4-propylphenyl)ethanol.
What is the SMILES notation for 2-(3-methoxypiperidin-1-yl)-1-(4-propylphenyl)ethanol?
The canonical SMILES for 2-(3-methoxypiperidin-1-yl)-1-(4-propylphenyl)ethanol is CCCc1ccc(C(O)CN2CCCC(OC)C2)cc1.
What is the InChIKey of 2-(3-methoxypiperidin-1-yl)-1-(4-propylphenyl)ethanol?
The InChIKey is UJSWXDBIIMRKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-5-14-7-9-15(10-8-14)17(19)13-18-11-4-6-16(12-18)20-2/h7-10,16-17,19H,3-6,11-13H2,1-2H3.
What are the key properties of 2-(3-methoxypiperidin-1-yl)-1-(4-propylphenyl)ethanol?
2-(3-methoxypiperidin-1-yl)-1-(4-propylphenyl)ethanol has a molecular weight of 277.41 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypiperidin-1-yl)-1-(4-propylphenyl)ethanol is sourced from PubChem (CID 102966119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).