4-methyl-1-(2-phenylethyl)azepan-4-ol

C15H23NO — CID 107408153

IUPAC4-methyl-1-(2-phenylethyl)azepan-4-ol
SMILESCC1(O)CCCN(CCc2ccccc2)CC1
InChIInChI=1S/C15H23NO/c1-15(17)9-5-11-16(13-10-15)12-8-14-6-3-2-4-7-14/h2-4,6-7,17H,5,8-13H2,1H3
InChIKeyBEWFYYVVKZJMHM-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.47
Rot. Bonds3

About 4-methyl-1-(2-phenylethyl)azepan-4-ol

4-methyl-1-(2-phenylethyl)azepan-4-ol (PubChem CID 107408153) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-methyl-1-(2-phenylethyl)azepan-4-ol.

Molecular Properties

Compound Name4-methyl-1-(2-phenylethyl)azepan-4-ol
PubChem CID107408153
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name4-methyl-1-(2-phenylethyl)azepan-4-ol
SMILESCC1(O)CCCN(CCc2ccccc2)CC1
InChIInChI=1S/C15H23NO/c1-15(17)9-5-11-16(13-10-15)12-8-14-6-3-2-4-7-14/h2-4,6-7,17H,5,8-13H2,1H3
InChIKeyBEWFYYVVKZJMHM-UHFFFAOYSA-N
XLogP2.47
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-hydroxy-3-phenylpropyl)-4-methylazepan-4-ol
CID 107408828
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
4-(difluoromethyl)-1-(2-phenylethyl)piperidin-4-ol
CID 80604289
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
(1S,3R)-7-(2-phenylethyl)-7-azaspiro[3.5]nonane-1,3-diol
CID 72916080
2-(4-hydroxy-4-methylazepan-1-yl)-1-phenylethanone
CID 107405289
4-methyl-1-(2-pyridin-2-ylethyl)piperidin-4-ol
CID 80702351
1-[2-(4-methoxyphenyl)ethyl]-3-methylpiperidin-3-ol
CID 115873746
4-benzyl-1-(2-phenylethyl)piperidine-4-carboxylic acid
CID 122657647
2-hydroxy-2,4-dimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 154663471
ethane;2-[4-methyl-1-(2-phenylethyl)piperidin-4-yl]acetonitrile
CID 145395121
N-[[4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide
CID 165352141

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-phenylethyl)azepan-4-ol?
The IUPAC name of 4-methyl-1-(2-phenylethyl)azepan-4-ol (CID 107408153) is 4-methyl-1-(2-phenylethyl)azepan-4-ol.
What is the SMILES notation for 4-methyl-1-(2-phenylethyl)azepan-4-ol?
The canonical SMILES for 4-methyl-1-(2-phenylethyl)azepan-4-ol is CC1(O)CCCN(CCc2ccccc2)CC1.
What is the InChIKey of 4-methyl-1-(2-phenylethyl)azepan-4-ol?
The InChIKey is BEWFYYVVKZJMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-15(17)9-5-11-16(13-10-15)12-8-14-6-3-2-4-7-14/h2-4,6-7,17H,5,8-13H2,1H3.
What are the key properties of 4-methyl-1-(2-phenylethyl)azepan-4-ol?
4-methyl-1-(2-phenylethyl)azepan-4-ol has a molecular weight of 233.36 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-phenylethyl)azepan-4-ol is sourced from PubChem (CID 107408153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).