3-[2-(azepan-4-yl)-1-hydroxyethyl]phenol

C14H21NO2 — CID 84698860

IUPAC3-[2-(azepan-4-yl)-1-hydroxyethyl]phenol
SMILESOc1cccc(C(O)CC2CCCNCC2)c1
InChIInChI=1S/C14H21NO2/c16-13-5-1-4-12(10-13)14(17)9-11-3-2-7-15-8-6-11/h1,4-5,10-11,14-17H,2-3,6-9H2
InChIKeyZCXZJKWXUKAVAY-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.21
Rot. Bonds3

About 3-[2-(azepan-4-yl)-1-hydroxyethyl]phenol

3-[2-(azepan-4-yl)-1-hydroxyethyl]phenol (PubChem CID 84698860) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[2-(azepan-4-yl)-1-hydroxyethyl]phenol.

Molecular Properties

Compound Name3-[2-(azepan-4-yl)-1-hydroxyethyl]phenol
PubChem CID84698860
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-[2-(azepan-4-yl)-1-hydroxyethyl]phenol
SMILESOc1cccc(C(O)CC2CCCNCC2)c1
InChIInChI=1S/C14H21NO2/c16-13-5-1-4-12(10-13)14(17)9-11-3-2-7-15-8-6-11/h1,4-5,10-11,14-17H,2-3,6-9H2
InChIKeyZCXZJKWXUKAVAY-UHFFFAOYSA-N
XLogP2.21
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[2-(azepan-4-yl)-1-hydroxyethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(azepan-4-ylmethyl)phenol
CID 83261812
3-(1-pyrrolidin-3-ylpropan-2-yl)phenol
CID 83908768
1-(3-bromophenyl)-2-cyclobutylethanol
CID 65457872
3-[(R)-amino(piperidin-4-yl)methyl]phenol;hydrochloride
CID 171314082
2-cyclopentyl-1-phenylethanol
CID 15629098
3-[hydroxy(pyrrolidin-2-yl)methyl]phenol
CID 83484257
N-[1-(3-hydroxyphenyl)ethyl]-2-piperidin-3-ylacetamide
CID 62676485
3-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride
CID 171218055
3-(piperidin-3-ylmethyl)phenol
CID 57155980
3-[amino(pyrrolidin-3-yl)methyl]phenol
CID 105446386
1-(4-methoxyphenyl)-2-piperidin-4-ylethanol
CID 84698858
1-[3-(difluoromethyl)phenyl]-2-(oxan-4-yl)ethanol
CID 115527745

Frequently Asked Questions

What is the IUPAC name of 3-[2-(azepan-4-yl)-1-hydroxyethyl]phenol?
The IUPAC name of 3-[2-(azepan-4-yl)-1-hydroxyethyl]phenol (CID 84698860) is 3-[2-(azepan-4-yl)-1-hydroxyethyl]phenol.
What is the SMILES notation for 3-[2-(azepan-4-yl)-1-hydroxyethyl]phenol?
The canonical SMILES for 3-[2-(azepan-4-yl)-1-hydroxyethyl]phenol is Oc1cccc(C(O)CC2CCCNCC2)c1.
What is the InChIKey of 3-[2-(azepan-4-yl)-1-hydroxyethyl]phenol?
The InChIKey is ZCXZJKWXUKAVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c16-13-5-1-4-12(10-13)14(17)9-11-3-2-7-15-8-6-11/h1,4-5,10-11,14-17H,2-3,6-9H2.
What are the key properties of 3-[2-(azepan-4-yl)-1-hydroxyethyl]phenol?
3-[2-(azepan-4-yl)-1-hydroxyethyl]phenol has a molecular weight of 235.33 g/mol, XLogP of 2.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(azepan-4-yl)-1-hydroxyethyl]phenol is sourced from PubChem (CID 84698860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).