1-(4-cyclohexylpiperazin-1-yl)-2-(2-methylphenyl)ethanone

C19H28N2O — CID 17145729

IUPAC1-(4-cyclohexylpiperazin-1-yl)-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C19H28N2O/c1-16-7-5-6-8-17(16)15-19(22)21-13-11-20(12-14-21)18-9-3-2-4-10-18/h5-8,18H,2-4,9-15H2,1H3
InChIKeyKOBNBCKAYUENGB-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.01
Rot. Bonds3

About 1-(4-cyclohexylpiperazin-1-yl)-2-(2-methylphenyl)ethanone

1-(4-cyclohexylpiperazin-1-yl)-2-(2-methylphenyl)ethanone (PubChem CID 17145729) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 1-(4-cyclohexylpiperazin-1-yl)-2-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-cyclohexylpiperazin-1-yl)-2-(2-methylphenyl)ethanone
PubChem CID17145729
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name1-(4-cyclohexylpiperazin-1-yl)-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C19H28N2O/c1-16-7-5-6-8-17(16)15-19(22)21-13-11-20(12-14-21)18-9-3-2-4-10-18/h5-8,18H,2-4,9-15H2,1H3
InChIKeyKOBNBCKAYUENGB-UHFFFAOYSA-N
XLogP3.01
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-cyclopentylpiperazin-1-yl)-2-(2-methylphenyl)ethanone
CID 110708909
2-(2-bromophenyl)-1-(4-cycloheptylpiperazin-1-yl)ethanone
CID 113074946
2-(2-chloro-3-methylphenyl)-1-(4-cyclopentylpiperazin-1-yl)ethanone
CID 136535913
1-(4-cyclohexylpiperazin-1-yl)-2-(2-fluorophenyl)ethanone
CID 113073065
3-cyclopentyl-1-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 134021008
1-(4-cyclopentylpiperazin-1-yl)-2-(2-nitrophenyl)ethanone
CID 134020582
2-(2-methylphenyl)-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone
CID 119311728
1-(4-cyclohexylpiperazin-1-yl)-2-(2-phenylmethoxyphenyl)ethanone
CID 18456376
2-(4-cyclohexylpiperazin-1-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 134483239
1-(4-aminopiperidin-1-yl)-2-(2-methylphenyl)ethanone;hydrochloride
CID 119164426
2-(2-methylphenyl)-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119311727
1-(4-cyclopentylpiperazin-1-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 57442352

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylpiperazin-1-yl)-2-(2-methylphenyl)ethanone?
The IUPAC name of 1-(4-cyclohexylpiperazin-1-yl)-2-(2-methylphenyl)ethanone (CID 17145729) is 1-(4-cyclohexylpiperazin-1-yl)-2-(2-methylphenyl)ethanone.
What is the SMILES notation for 1-(4-cyclohexylpiperazin-1-yl)-2-(2-methylphenyl)ethanone?
The canonical SMILES for 1-(4-cyclohexylpiperazin-1-yl)-2-(2-methylphenyl)ethanone is Cc1ccccc1CC(=O)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-(4-cyclohexylpiperazin-1-yl)-2-(2-methylphenyl)ethanone?
The InChIKey is KOBNBCKAYUENGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-16-7-5-6-8-17(16)15-19(22)21-13-11-20(12-14-21)18-9-3-2-4-10-18/h5-8,18H,2-4,9-15H2,1H3.
What are the key properties of 1-(4-cyclohexylpiperazin-1-yl)-2-(2-methylphenyl)ethanone?
1-(4-cyclohexylpiperazin-1-yl)-2-(2-methylphenyl)ethanone has a molecular weight of 300.45 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylpiperazin-1-yl)-2-(2-methylphenyl)ethanone is sourced from PubChem (CID 17145729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).