cyclohexyl-(4-ethylpiperazin-4-ium-1-yl)methanone

C13H25N2O+ — CID 7371550

IUPACcyclohexyl-(4-ethylpiperazin-4-ium-1-yl)methanone
SMILESCC[NH+]1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C13H24N2O/c1-2-14-8-10-15(11-9-14)13(16)12-6-4-3-5-7-12/h12H,2-11H2,1H3/p+1
InChIKeyULVBOFHJXQJBRH-UHFFFAOYSA-O
MW225.36 g/mol
LogP0.31
Rot. Bonds2

About cyclohexyl-(4-ethylpiperazin-4-ium-1-yl)methanone

cyclohexyl-(4-ethylpiperazin-4-ium-1-yl)methanone (PubChem CID 7371550) has the molecular formula C13H25N2O+ and a molecular weight of 225.36 g/mol. Its IUPAC name is cyclohexyl-(4-ethylpiperazin-4-ium-1-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(4-ethylpiperazin-4-ium-1-yl)methanone
PubChem CID7371550
Molecular FormulaC13H25N2O+
Molecular Weight225.36 g/mol
Exact Mass225.20
IUPAC Namecyclohexyl-(4-ethylpiperazin-4-ium-1-yl)methanone
SMILESCC[NH+]1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C13H24N2O/c1-2-14-8-10-15(11-9-14)13(16)12-6-4-3-5-7-12/h12H,2-11H2,1H3/p+1
InChIKeyULVBOFHJXQJBRH-UHFFFAOYSA-O
XLogP0.31
TPSA24.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

aziridin-1-yl(cyclohexyl)methanone
CID 2309619
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
(4-ethylpiperazin-4-ium-1-yl)-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone
CID 6946276
[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
CID 134029844
cycloheptyl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155764605
ethyl 4-(cyclohexanecarbonyl)piperazine-1-carboxylate
CID 750615
(4-ethylpiperazin-4-ium-1-yl)-[(3R)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone
CID 7419606
[1-[[4-(diethylamino)phenyl]methyl]piperidin-1-ium-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone
CID 7317068
cyclopentyl-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methanone
CID 95051296
3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,1-diethylurea
CID 108563875
(4-benzylpiperazin-4-ium-1-yl)-cyclobutylmethanone
CID 7441438

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(4-ethylpiperazin-4-ium-1-yl)methanone?
The IUPAC name of cyclohexyl-(4-ethylpiperazin-4-ium-1-yl)methanone (CID 7371550) is cyclohexyl-(4-ethylpiperazin-4-ium-1-yl)methanone.
What is the SMILES notation for cyclohexyl-(4-ethylpiperazin-4-ium-1-yl)methanone?
The canonical SMILES for cyclohexyl-(4-ethylpiperazin-4-ium-1-yl)methanone is CC[NH+]1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of cyclohexyl-(4-ethylpiperazin-4-ium-1-yl)methanone?
The InChIKey is ULVBOFHJXQJBRH-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H24N2O/c1-2-14-8-10-15(11-9-14)13(16)12-6-4-3-5-7-12/h12H,2-11H2,1H3/p+1.
What are the key properties of cyclohexyl-(4-ethylpiperazin-4-ium-1-yl)methanone?
cyclohexyl-(4-ethylpiperazin-4-ium-1-yl)methanone has a molecular weight of 225.36 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(4-ethylpiperazin-4-ium-1-yl)methanone is sourced from PubChem (CID 7371550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).