4-methyl-1-(1-phenylethyl)azepan-4-ol

C15H23NO — CID 107407753

IUPAC4-methyl-1-(1-phenylethyl)azepan-4-ol
SMILESCC(c1ccccc1)N1CCCC(C)(O)CC1
InChIInChI=1S/C15H23NO/c1-13(14-7-4-3-5-8-14)16-11-6-9-15(2,17)10-12-16/h3-5,7-8,13,17H,6,9-12H2,1-2H3
InChIKeyQGQZJIIOPVOMIA-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.98
Rot. Bonds2

About 4-methyl-1-(1-phenylethyl)azepan-4-ol

4-methyl-1-(1-phenylethyl)azepan-4-ol (PubChem CID 107407753) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-methyl-1-(1-phenylethyl)azepan-4-ol.

Molecular Properties

Compound Name4-methyl-1-(1-phenylethyl)azepan-4-ol
PubChem CID107407753
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name4-methyl-1-(1-phenylethyl)azepan-4-ol
SMILESCC(c1ccccc1)N1CCCC(C)(O)CC1
InChIInChI=1S/C15H23NO/c1-13(14-7-4-3-5-8-14)16-11-6-9-15(2,17)10-12-16/h3-5,7-8,13,17H,6,9-12H2,1-2H3
InChIKeyQGQZJIIOPVOMIA-UHFFFAOYSA-N
XLogP2.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-1-(1-phenylethyl)azepan-4-ol 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

1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
CID 3246046
1-(2-amino-1-phenylpropyl)-3-methylpyrrolidin-3-ol
CID 103355450
2-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylacetic acid
CID 67505976
2-[3-methyl-1-(1-phenylethyl)piperidin-3-yl]acetic acid
CID 117013320
5-[(1R)-1-phenylethyl]-5-azaspiro[2.4]heptane
CID 142625115
1-[(1R)-1-phenylethyl]-4-propan-2-ylpiperazine
CID 134380011
1-(3-hydroxy-3-phenylpropyl)-4-methylazepan-4-ol
CID 107408828
1-(3-hydroxybutan-2-yl)-4-methylazepan-4-ol
CID 107407212
1-(4-bromophenyl)-2-(4-hydroxy-4-methylazepan-1-yl)propan-1-one
CID 107405309
1-(4-hydroxy-4-methylazepan-1-yl)-2-phenylbutan-1-one
CID 107406380
4-cyano-1-(1-phenylethyl)piperidine-4-carboxylic acid
CID 117008017
methyl 5-[1-(4-hydroxy-4-methylazepan-1-yl)ethyl]furan-2-carboxylate
CID 107405158

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1-phenylethyl)azepan-4-ol?
The IUPAC name of 4-methyl-1-(1-phenylethyl)azepan-4-ol (CID 107407753) is 4-methyl-1-(1-phenylethyl)azepan-4-ol.
What is the SMILES notation for 4-methyl-1-(1-phenylethyl)azepan-4-ol?
The canonical SMILES for 4-methyl-1-(1-phenylethyl)azepan-4-ol is CC(c1ccccc1)N1CCCC(C)(O)CC1.
What is the InChIKey of 4-methyl-1-(1-phenylethyl)azepan-4-ol?
The InChIKey is QGQZJIIOPVOMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-13(14-7-4-3-5-8-14)16-11-6-9-15(2,17)10-12-16/h3-5,7-8,13,17H,6,9-12H2,1-2H3.
What are the key properties of 4-methyl-1-(1-phenylethyl)azepan-4-ol?
4-methyl-1-(1-phenylethyl)azepan-4-ol has a molecular weight of 233.36 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1-phenylethyl)azepan-4-ol is sourced from PubChem (CID 107407753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).