2-(3-methylcyclohexyl)-1-(2-methylpiperazin-1-yl)ethanone

C14H26N2O — CID 119472160

IUPAC2-(3-methylcyclohexyl)-1-(2-methylpiperazin-1-yl)ethanone
SMILESCC1CCCC(CC(=O)N2CCNCC2C)C1
InChIInChI=1S/C14H26N2O/c1-11-4-3-5-13(8-11)9-14(17)16-7-6-15-10-12(16)2/h11-13,15H,3-10H2,1-2H3
InChIKeyARZLPENEUKHXMM-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.02
Rot. Bonds2

About 2-(3-methylcyclohexyl)-1-(2-methylpiperazin-1-yl)ethanone

2-(3-methylcyclohexyl)-1-(2-methylpiperazin-1-yl)ethanone (PubChem CID 119472160) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-(3-methylcyclohexyl)-1-(2-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-methylcyclohexyl)-1-(2-methylpiperazin-1-yl)ethanone
PubChem CID119472160
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-(3-methylcyclohexyl)-1-(2-methylpiperazin-1-yl)ethanone
SMILESCC1CCCC(CC(=O)N2CCNCC2C)C1
InChIInChI=1S/C14H26N2O/c1-11-4-3-5-13(8-11)9-14(17)16-7-6-15-10-12(16)2/h11-13,15H,3-10H2,1-2H3
InChIKeyARZLPENEUKHXMM-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclobutyl-1-(2-methylpiperazin-1-yl)butan-1-one
CID 115273063
3-cyclohexyl-1-(2-methylpiperazin-1-yl)propan-1-one
CID 62672939
1-[(2R)-2-methylpiperazin-1-yl]-2-(oxolan-2-yl)ethanone
CID 82704997
1-(2-methylpiperazin-1-yl)propan-1-one
CID 10820824
4-methyl-1-(2-piperidin-3-ylacetyl)piperidine-2-carboxylic acid
CID 115867385
(2S,3S)-2-methyl-1-[2-(3-methylcyclohexyl)acetyl]piperidine-3-carboxylic acid
CID 122115737
1-[(2R,3aS,6aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-(3-methylcyclohexyl)ethanone
CID 166250727
1-[(2S)-2-methylpiperazin-1-yl]ethanone
CID 54446440
1-[(2R)-2-methylpiperazin-1-yl]ethanone
CID 55300442
1-[(3R)-3-methylcyclohexyl]propan-2-one
CID 130348727
2-(dimethylamino)-1-(2-methylpiperazin-1-yl)ethanone
CID 79001882
3-cyclohexyl-1-(2-methyl-1,4-diazepan-1-yl)propan-1-one
CID 82245084

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylcyclohexyl)-1-(2-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(3-methylcyclohexyl)-1-(2-methylpiperazin-1-yl)ethanone (CID 119472160) is 2-(3-methylcyclohexyl)-1-(2-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(3-methylcyclohexyl)-1-(2-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(3-methylcyclohexyl)-1-(2-methylpiperazin-1-yl)ethanone is CC1CCCC(CC(=O)N2CCNCC2C)C1.
What is the InChIKey of 2-(3-methylcyclohexyl)-1-(2-methylpiperazin-1-yl)ethanone?
The InChIKey is ARZLPENEUKHXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11-4-3-5-13(8-11)9-14(17)16-7-6-15-10-12(16)2/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 2-(3-methylcyclohexyl)-1-(2-methylpiperazin-1-yl)ethanone?
2-(3-methylcyclohexyl)-1-(2-methylpiperazin-1-yl)ethanone has a molecular weight of 238.37 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclohexyl)-1-(2-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 119472160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).