2-(4-cyclohexylpiperazin-1-yl)-1-(2,4-dimethylphenyl)ethanone

C20H30N2O — CID 90643116

IUPAC2-(4-cyclohexylpiperazin-1-yl)-1-(2,4-dimethylphenyl)ethanone
SMILESCc1ccc(C(=O)CN2CCN(C3CCCCC3)CC2)c(C)c1
InChIInChI=1S/C20H30N2O/c1-16-8-9-19(17(2)14-16)20(23)15-21-10-12-22(13-11-21)18-6-4-3-5-7-18/h8-9,14,18H,3-7,10-13,15H2,1-2H3
InChIKeyHVLQXPSRXABSOR-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.44
Rot. Bonds4

About 2-(4-cyclohexylpiperazin-1-yl)-1-(2,4-dimethylphenyl)ethanone

2-(4-cyclohexylpiperazin-1-yl)-1-(2,4-dimethylphenyl)ethanone (PubChem CID 90643116) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 2-(4-cyclohexylpiperazin-1-yl)-1-(2,4-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-cyclohexylpiperazin-1-yl)-1-(2,4-dimethylphenyl)ethanone
PubChem CID90643116
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name2-(4-cyclohexylpiperazin-1-yl)-1-(2,4-dimethylphenyl)ethanone
SMILESCc1ccc(C(=O)CN2CCN(C3CCCCC3)CC2)c(C)c1
InChIInChI=1S/C20H30N2O/c1-16-8-9-19(17(2)14-16)20(23)15-21-10-12-22(13-11-21)18-6-4-3-5-7-18/h8-9,14,18H,3-7,10-13,15H2,1-2H3
InChIKeyHVLQXPSRXABSOR-UHFFFAOYSA-N
XLogP3.44
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azocan-1-yl)-1-(2,4-dimethylphenyl)ethanone
CID 43219875
1-(2,4-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 106836618
1-(2,4-dimethylphenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 43219443
1-(2,4-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)ethanone
CID 121200226
2-(4-cyclohexylpiperazin-1-yl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 51618800
1-[4-[2-(2,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]butan-1-one
CID 110366640
1-(2,4-dimethylphenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 60650789
1-(2,4-dimethylphenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone
CID 110366678
2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,4-dimethylphenyl)ethanone
CID 103535673
2-cyclopentylsulfanyl-1-(2,4-dimethylphenyl)ethanone
CID 60643768
2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2,5-dimethylphenyl)ethanone
CID 61445683
2-(4-cyclopentyl-1,4-diazepan-1-yl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 124752230

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylpiperazin-1-yl)-1-(2,4-dimethylphenyl)ethanone?
The IUPAC name of 2-(4-cyclohexylpiperazin-1-yl)-1-(2,4-dimethylphenyl)ethanone (CID 90643116) is 2-(4-cyclohexylpiperazin-1-yl)-1-(2,4-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(4-cyclohexylpiperazin-1-yl)-1-(2,4-dimethylphenyl)ethanone?
The canonical SMILES for 2-(4-cyclohexylpiperazin-1-yl)-1-(2,4-dimethylphenyl)ethanone is Cc1ccc(C(=O)CN2CCN(C3CCCCC3)CC2)c(C)c1.
What is the InChIKey of 2-(4-cyclohexylpiperazin-1-yl)-1-(2,4-dimethylphenyl)ethanone?
The InChIKey is HVLQXPSRXABSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-16-8-9-19(17(2)14-16)20(23)15-21-10-12-22(13-11-21)18-6-4-3-5-7-18/h8-9,14,18H,3-7,10-13,15H2,1-2H3.
What are the key properties of 2-(4-cyclohexylpiperazin-1-yl)-1-(2,4-dimethylphenyl)ethanone?
2-(4-cyclohexylpiperazin-1-yl)-1-(2,4-dimethylphenyl)ethanone has a molecular weight of 314.47 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylpiperazin-1-yl)-1-(2,4-dimethylphenyl)ethanone is sourced from PubChem (CID 90643116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).