1-cyclohexylpiperazine;3-oxobutanoic acid

C14H26N2O3 — CID 70416246

IUPAC1-cyclohexylpiperazine;3-oxobutanoic acid
SMILESC1CCC(N2CCNCC2)CC1.CC(=O)CC(=O)O
InChIInChI=1S/C10H20N2.C4H6O3/c1-2-4-10(5-3-1)12-8-6-11-7-9-12;1-3(5)2-4(6)7/h10-11H,1-9H2;2H2,1H3,(H,6,7)
InChIKeyWKCXEGLUAHXYFW-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.27
Rot. Bonds3

About 1-cyclohexylpiperazine;3-oxobutanoic acid

1-cyclohexylpiperazine;3-oxobutanoic acid (PubChem CID 70416246) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-cyclohexylpiperazine;3-oxobutanoic acid.

Molecular Properties

Compound Name1-cyclohexylpiperazine;3-oxobutanoic acid
PubChem CID70416246
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-cyclohexylpiperazine;3-oxobutanoic acid
SMILESC1CCC(N2CCNCC2)CC1.CC(=O)CC(=O)O
InChIInChI=1S/C10H20N2.C4H6O3/c1-2-4-10(5-3-1)12-8-6-11-7-9-12;1-3(5)2-4(6)7/h10-11H,1-9H2;2H2,1H3,(H,6,7)
InChIKeyWKCXEGLUAHXYFW-UHFFFAOYSA-N
XLogP1.27
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-cycloheptylpiperazine;methane
CID 143122535
1-cyclopentylpiperazine;ethane
CID 143559542
1-cyclobutylpiperazine;bis(2,2,2-trifluoroacetic acid)
CID 87187795
(4-cyclopentylpiperazin-1-yl)-piperazin-1-ylmethanone
CID 55063692
(3R)-3-piperazin-1-ylcyclohexane-1-carboxylic acid
CID 70920669
1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,3-dione
CID 60950466
methyl 2-(4-piperazin-1-ylpiperidin-1-yl)acetate
CID 90717015
1,4-diazabicyclo[6.2.0]decane
CID 118210284
1,4-dicyclopentylpiperazine;oxalic acid
CID 17369822
N-cyclohexyl-2-(3-piperazin-1-ylazetidin-1-yl)acetamide
CID 66196372
1-(3-piperazin-1-ylpiperidin-1-yl)pentan-1-one
CID 115270004
2-[2-[4-(4-cyclohexylpiperazin-1-yl)butyl]piperazin-1-yl]acetic acid
CID 174337604

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylpiperazine;3-oxobutanoic acid?
The IUPAC name of 1-cyclohexylpiperazine;3-oxobutanoic acid (CID 70416246) is 1-cyclohexylpiperazine;3-oxobutanoic acid.
What is the SMILES notation for 1-cyclohexylpiperazine;3-oxobutanoic acid?
The canonical SMILES for 1-cyclohexylpiperazine;3-oxobutanoic acid is C1CCC(N2CCNCC2)CC1.CC(=O)CC(=O)O.
What is the InChIKey of 1-cyclohexylpiperazine;3-oxobutanoic acid?
The InChIKey is WKCXEGLUAHXYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2.C4H6O3/c1-2-4-10(5-3-1)12-8-6-11-7-9-12;1-3(5)2-4(6)7/h10-11H,1-9H2;2H2,1H3,(H,6,7).
What are the key properties of 1-cyclohexylpiperazine;3-oxobutanoic acid?
1-cyclohexylpiperazine;3-oxobutanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylpiperazine;3-oxobutanoic acid is sourced from PubChem (CID 70416246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).