2-(azepan-1-yl)-1-(4-methoxyphenyl)ethanol

C15H23NO2 — CID 54944635

IUPAC2-(azepan-1-yl)-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CN2CCCCCC2)cc1
InChIInChI=1S/C15H23NO2/c1-18-14-8-6-13(7-9-14)15(17)12-16-10-4-2-3-5-11-16/h6-9,15,17H,2-5,10-12H2,1H3
InChIKeySUSVTAYZDJSGQD-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.60
Rot. Bonds4

About 2-(azepan-1-yl)-1-(4-methoxyphenyl)ethanol

2-(azepan-1-yl)-1-(4-methoxyphenyl)ethanol (PubChem CID 54944635) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-(azepan-1-yl)-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(azepan-1-yl)-1-(4-methoxyphenyl)ethanol
PubChem CID54944635
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-(azepan-1-yl)-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CN2CCCCCC2)cc1
InChIInChI=1S/C15H23NO2/c1-18-14-8-6-13(7-9-14)15(17)12-16-10-4-2-3-5-11-16/h6-9,15,17H,2-5,10-12H2,1H3
InChIKeySUSVTAYZDJSGQD-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanol
CID 60971064
1-(4-methoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanol
CID 54944641
1-(4-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 54944956
1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanol
CID 56686974
(1S,2S)-2-amino-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 11652165
1-(4-phenoxyphenyl)-2-pyrrolidin-1-ylethanol
CID 57207345
3-(azepan-1-yl)-2-(4-methoxyphenyl)propanoic acid
CID 117245121
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-methoxyphenyl)ethanol
CID 115824259
4-(1-hydroxy-2-pyrrolidin-1-ylethyl)phenol
CID 11492169
N-[1-(4-methoxyphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749138
2-(3,5-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)ethanol
CID 54944543
1-(3-chloro-4-methoxyphenyl)-2-piperidin-1-ylethanol
CID 82123734

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-1-(4-methoxyphenyl)ethanol?
The IUPAC name of 2-(azepan-1-yl)-1-(4-methoxyphenyl)ethanol (CID 54944635) is 2-(azepan-1-yl)-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(azepan-1-yl)-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for 2-(azepan-1-yl)-1-(4-methoxyphenyl)ethanol is COc1ccc(C(O)CN2CCCCCC2)cc1.
What is the InChIKey of 2-(azepan-1-yl)-1-(4-methoxyphenyl)ethanol?
The InChIKey is SUSVTAYZDJSGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-18-14-8-6-13(7-9-14)15(17)12-16-10-4-2-3-5-11-16/h6-9,15,17H,2-5,10-12H2,1H3.
What are the key properties of 2-(azepan-1-yl)-1-(4-methoxyphenyl)ethanol?
2-(azepan-1-yl)-1-(4-methoxyphenyl)ethanol has a molecular weight of 249.35 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 54944635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).