1-amino-3-(4-butan-2-ylpiperazin-1-yl)cyclohexane-1-carboxylic acid

C15H29N3O2 — CID 79642243

IUPAC1-amino-3-(4-butan-2-ylpiperazin-1-yl)cyclohexane-1-carboxylic acid
SMILESCCC(C)N1CCN(C2CCCC(N)(C(=O)O)C2)CC1
InChIInChI=1S/C15H29N3O2/c1-3-12(2)17-7-9-18(10-8-17)13-5-4-6-15(16,11-13)14(19)20/h12-13H,3-11,16H2,1-2H3,(H,19,20)
InChIKeyKKPIXOWAWLQMAA-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.13
Rot. Bonds4

About 1-amino-3-(4-butan-2-ylpiperazin-1-yl)cyclohexane-1-carboxylic acid

1-amino-3-(4-butan-2-ylpiperazin-1-yl)cyclohexane-1-carboxylic acid (PubChem CID 79642243) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-amino-3-(4-butan-2-ylpiperazin-1-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-3-(4-butan-2-ylpiperazin-1-yl)cyclohexane-1-carboxylic acid
PubChem CID79642243
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name1-amino-3-(4-butan-2-ylpiperazin-1-yl)cyclohexane-1-carboxylic acid
SMILESCCC(C)N1CCN(C2CCCC(N)(C(=O)O)C2)CC1
InChIInChI=1S/C15H29N3O2/c1-3-12(2)17-7-9-18(10-8-17)13-5-4-6-15(16,11-13)14(19)20/h12-13H,3-11,16H2,1-2H3,(H,19,20)
InChIKeyKKPIXOWAWLQMAA-UHFFFAOYSA-N
XLogP1.13
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-amino-3-(4-butan-2-ylpiperazin-1-yl)cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-amino-3-(4-butan-2-ylpiperazin-1-yl)cyclohexyl]methanol
CID 79634360
1-amino-3-(4-cyclopropylpiperazin-1-yl)cyclohexane-1-carboxylic acid
CID 79641627
1-amino-3-(4-propan-2-ylazepan-1-yl)cyclohexane-1-carboxylic acid
CID 79642332
1-amino-3-(4-ethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 79641894
1-amino-3-(4,4-dimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 79642103
1-butan-2-yl-4-cyclohexylpiperazine;oxalic acid
CID 17369821
1-amino-3-(4-cyclopentylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 79650906
1-amino-3-(4-methylazepan-1-yl)cyclohexane-1-carboxylic acid
CID 79642184
1-amino-3-(4-methoxypiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 79637066
1-amino-3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)cyclohexane-1-carboxylic acid
CID 79642318
3-(4-butan-2-ylpiperazin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79627551
1-amino-3-(4,4-dimethylazepan-1-yl)cyclopentane-1-carboxylic acid
CID 79651230

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-butan-2-ylpiperazin-1-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-amino-3-(4-butan-2-ylpiperazin-1-yl)cyclohexane-1-carboxylic acid (CID 79642243) is 1-amino-3-(4-butan-2-ylpiperazin-1-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-amino-3-(4-butan-2-ylpiperazin-1-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-amino-3-(4-butan-2-ylpiperazin-1-yl)cyclohexane-1-carboxylic acid is CCC(C)N1CCN(C2CCCC(N)(C(=O)O)C2)CC1.
What is the InChIKey of 1-amino-3-(4-butan-2-ylpiperazin-1-yl)cyclohexane-1-carboxylic acid?
The InChIKey is KKPIXOWAWLQMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-3-12(2)17-7-9-18(10-8-17)13-5-4-6-15(16,11-13)14(19)20/h12-13H,3-11,16H2,1-2H3,(H,19,20).
What are the key properties of 1-amino-3-(4-butan-2-ylpiperazin-1-yl)cyclohexane-1-carboxylic acid?
1-amino-3-(4-butan-2-ylpiperazin-1-yl)cyclohexane-1-carboxylic acid has a molecular weight of 283.42 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-butan-2-ylpiperazin-1-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79642243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).