1-cyclohexyl-2-(1,4-dimethylpiperazin-2-yl)ethanone

C14H26N2O — CID 115414611

IUPAC1-cyclohexyl-2-(1,4-dimethylpiperazin-2-yl)ethanone
SMILESCN1CCN(C)C(CC(=O)C2CCCCC2)C1
InChIInChI=1S/C14H26N2O/c1-15-8-9-16(2)13(11-15)10-14(17)12-6-4-3-5-7-12/h12-13H,3-11H2,1-2H3
InChIKeyQKDFRDMXHCRNDN-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.77
Rot. Bonds3

About 1-cyclohexyl-2-(1,4-dimethylpiperazin-2-yl)ethanone

1-cyclohexyl-2-(1,4-dimethylpiperazin-2-yl)ethanone (PubChem CID 115414611) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-cyclohexyl-2-(1,4-dimethylpiperazin-2-yl)ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-(1,4-dimethylpiperazin-2-yl)ethanone
PubChem CID115414611
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-cyclohexyl-2-(1,4-dimethylpiperazin-2-yl)ethanone
SMILESCN1CCN(C)C(CC(=O)C2CCCCC2)C1
InChIInChI=1S/C14H26N2O/c1-15-8-9-16(2)13(11-15)10-14(17)12-6-4-3-5-7-12/h12-13H,3-11H2,1-2H3
InChIKeyQKDFRDMXHCRNDN-UHFFFAOYSA-N
XLogP1.77
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-2-(1-methylpiperazin-2-yl)ethanone
CID 116920123
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 63898158
1-(1,4-dimethylpiperazin-2-yl)-3-methylpentan-2-one
CID 115414648
1-cyclohexyl-2-(1,4-dimethylpiperazin-2-yl)ethanol
CID 115414967
ethyl 2-(1,4-dimethylpiperazin-2-yl)acetate;dihydrochloride
CID 90485290
1-cyclohexyl-3-[(1,4-dimethylpiperazin-2-yl)methyl]thiourea
CID 115620804
1-(4-methylpiperazin-1-yl)-2-(1-methylpiperidin-2-yl)ethanone
CID 110849813
1-cyclohexyl-2-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 104749970
3-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]cyclohexane-1-carboxamide
CID 63899029
1-(2-bicyclo[2.2.1]heptanyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one
CID 115414604
N-(cyclopropylmethyl)-2-[(1,4-dimethylpiperazin-2-yl)methylamino]acetamide
CID 63897450
[2-(aminomethyl)-4-methylpiperazin-1-yl]-cyclobutylmethanone
CID 80505035

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(1,4-dimethylpiperazin-2-yl)ethanone?
The IUPAC name of 1-cyclohexyl-2-(1,4-dimethylpiperazin-2-yl)ethanone (CID 115414611) is 1-cyclohexyl-2-(1,4-dimethylpiperazin-2-yl)ethanone.
What is the SMILES notation for 1-cyclohexyl-2-(1,4-dimethylpiperazin-2-yl)ethanone?
The canonical SMILES for 1-cyclohexyl-2-(1,4-dimethylpiperazin-2-yl)ethanone is CN1CCN(C)C(CC(=O)C2CCCCC2)C1.
What is the InChIKey of 1-cyclohexyl-2-(1,4-dimethylpiperazin-2-yl)ethanone?
The InChIKey is QKDFRDMXHCRNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-15-8-9-16(2)13(11-15)10-14(17)12-6-4-3-5-7-12/h12-13H,3-11H2,1-2H3.
What are the key properties of 1-cyclohexyl-2-(1,4-dimethylpiperazin-2-yl)ethanone?
1-cyclohexyl-2-(1,4-dimethylpiperazin-2-yl)ethanone has a molecular weight of 238.37 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(1,4-dimethylpiperazin-2-yl)ethanone is sourced from PubChem (CID 115414611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).