1-cyclohexyl-2-(4-hydroxy-4-methylazepan-1-yl)ethanone

C15H27NO2 — CID 107405281

IUPAC1-cyclohexyl-2-(4-hydroxy-4-methylazepan-1-yl)ethanone
SMILESCC1(O)CCCN(CC(=O)C2CCCCC2)CC1
InChIInChI=1S/C15H27NO2/c1-15(18)8-5-10-16(11-9-15)12-14(17)13-6-3-2-4-7-13/h13,18H,2-12H2,1H3
InChIKeyZPQWMIKMBBMOIP-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.37
Rot. Bonds3

About 1-cyclohexyl-2-(4-hydroxy-4-methylazepan-1-yl)ethanone

1-cyclohexyl-2-(4-hydroxy-4-methylazepan-1-yl)ethanone (PubChem CID 107405281) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-cyclohexyl-2-(4-hydroxy-4-methylazepan-1-yl)ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-(4-hydroxy-4-methylazepan-1-yl)ethanone
PubChem CID107405281
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name1-cyclohexyl-2-(4-hydroxy-4-methylazepan-1-yl)ethanone
SMILESCC1(O)CCCN(CC(=O)C2CCCCC2)CC1
InChIInChI=1S/C15H27NO2/c1-15(18)8-5-10-16(11-9-15)12-14(17)13-6-3-2-4-7-13/h13,18H,2-12H2,1H3
InChIKeyZPQWMIKMBBMOIP-UHFFFAOYSA-N
XLogP2.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxy-4-methylazepan-1-yl)-1-(2-methylpiperidin-1-yl)ethanone
CID 107408374
1-cyclohexyl-2-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 104749970
2-(4-hydroxy-4-methylazepan-1-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 107407870
2-(4-hydroxy-4-methylazepan-1-yl)-N-(4-methylcyclohexyl)acetamide
CID 107407896
1-cyclopropyl-2-(4,4-diethylpiperidin-1-yl)ethanone
CID 63913701
1-cyclopentyl-2-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103498957
2-(4-hydroxy-4-methylazepan-1-yl)-N-propylacetamide
CID 107408408
1-(azepan-4-yl)-2-piperidin-1-ylethanone
CID 115007035
2-(4-tert-butylpiperazin-1-yl)-1-cyclopentylethanone
CID 113448723
4-(4-hydroxy-4-methylazepan-1-yl)butan-2-one
CID 107405316
2-(4-hydroxy-4-methylazepan-1-yl)-1-phenylethanone
CID 107405289
ethyl 4-(4-hydroxy-4-methylazepan-1-yl)-3-oxobutanoate
CID 107405359

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(4-hydroxy-4-methylazepan-1-yl)ethanone?
The IUPAC name of 1-cyclohexyl-2-(4-hydroxy-4-methylazepan-1-yl)ethanone (CID 107405281) is 1-cyclohexyl-2-(4-hydroxy-4-methylazepan-1-yl)ethanone.
What is the SMILES notation for 1-cyclohexyl-2-(4-hydroxy-4-methylazepan-1-yl)ethanone?
The canonical SMILES for 1-cyclohexyl-2-(4-hydroxy-4-methylazepan-1-yl)ethanone is CC1(O)CCCN(CC(=O)C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-2-(4-hydroxy-4-methylazepan-1-yl)ethanone?
The InChIKey is ZPQWMIKMBBMOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-15(18)8-5-10-16(11-9-15)12-14(17)13-6-3-2-4-7-13/h13,18H,2-12H2,1H3.
What are the key properties of 1-cyclohexyl-2-(4-hydroxy-4-methylazepan-1-yl)ethanone?
1-cyclohexyl-2-(4-hydroxy-4-methylazepan-1-yl)ethanone has a molecular weight of 253.39 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(4-hydroxy-4-methylazepan-1-yl)ethanone is sourced from PubChem (CID 107405281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).