cyclohexyl-[4-(2-ethyl-6-methylphenyl)piperazin-1-yl]methanone

C20H30N2O — CID 113075979

IUPACcyclohexyl-[4-(2-ethyl-6-methylphenyl)piperazin-1-yl]methanone
SMILESCCc1cccc(C)c1N1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C20H30N2O/c1-3-17-11-7-8-16(2)19(17)21-12-14-22(15-13-21)20(23)18-9-5-4-6-10-18/h7-8,11,18H,3-6,9-10,12-15H2,1-2H3
InChIKeyVKFFISYUDPJPPK-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.79
Rot. Bonds3

About cyclohexyl-[4-(2-ethyl-6-methylphenyl)piperazin-1-yl]methanone

cyclohexyl-[4-(2-ethyl-6-methylphenyl)piperazin-1-yl]methanone (PubChem CID 113075979) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is cyclohexyl-[4-(2-ethyl-6-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-(2-ethyl-6-methylphenyl)piperazin-1-yl]methanone
PubChem CID113075979
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Namecyclohexyl-[4-(2-ethyl-6-methylphenyl)piperazin-1-yl]methanone
SMILESCCc1cccc(C)c1N1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C20H30N2O/c1-3-17-11-7-8-16(2)19(17)21-12-14-22(15-13-21)20(23)18-9-5-4-6-10-18/h7-8,11,18H,3-6,9-10,12-15H2,1-2H3
InChIKeyVKFFISYUDPJPPK-UHFFFAOYSA-N
XLogP3.79
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethyl-6-methylphenyl)pyrrolidine
CID 168515642
4-(azepane-1-carbonyl)-1-(2-ethyl-6-methylphenyl)pyrrolidin-2-one
CID 113186430
4-(cyclohexanecarbonyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 84528878
1-(2-ethyl-6-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 113186377
1-[4-(2,6-diethylphenyl)piperazin-1-yl]ethanone
CID 113076338
cyclopentyl-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone
CID 110364805
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-3-(2-methylphenyl)propan-1-one
CID 110797863
1-(2,6-diethylphenyl)piperidine
CID 10608826
1-(2-ethyl-6-methylphenyl)-4-(1-methylpiperidin-4-yl)piperidine
CID 59110945
methyl 1-(2-ethyl-6-methylphenyl)pyrrolidine-3-carboxylate
CID 117028348
[1-[(2-methylphenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 43920515
N-(3-acetamidophenyl)-4-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide
CID 113112200

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(2-ethyl-6-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-(2-ethyl-6-methylphenyl)piperazin-1-yl]methanone (CID 113075979) is cyclohexyl-[4-(2-ethyl-6-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-(2-ethyl-6-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-(2-ethyl-6-methylphenyl)piperazin-1-yl]methanone is CCc1cccc(C)c1N1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of cyclohexyl-[4-(2-ethyl-6-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is VKFFISYUDPJPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-3-17-11-7-8-16(2)19(17)21-12-14-22(15-13-21)20(23)18-9-5-4-6-10-18/h7-8,11,18H,3-6,9-10,12-15H2,1-2H3.
What are the key properties of cyclohexyl-[4-(2-ethyl-6-methylphenyl)piperazin-1-yl]methanone?
cyclohexyl-[4-(2-ethyl-6-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 314.47 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(2-ethyl-6-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 113075979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).