4-methyl-2-(4-propan-2-ylpiperazin-1-yl)cyclohexane-1-carboxylic acid

C15H28N2O2 — CID 63067589

IUPAC4-methyl-2-(4-propan-2-ylpiperazin-1-yl)cyclohexane-1-carboxylic acid
SMILESCC1CCC(C(=O)O)C(N2CCN(C(C)C)CC2)C1
InChIInChI=1S/C15H28N2O2/c1-11(2)16-6-8-17(9-7-16)14-10-12(3)4-5-13(14)15(18)19/h11-14H,4-10H2,1-3H3,(H,18,19)
InChIKeySQPRLMKMNQWETH-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.90
Rot. Bonds3

About 4-methyl-2-(4-propan-2-ylpiperazin-1-yl)cyclohexane-1-carboxylic acid

4-methyl-2-(4-propan-2-ylpiperazin-1-yl)cyclohexane-1-carboxylic acid (PubChem CID 63067589) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-methyl-2-(4-propan-2-ylpiperazin-1-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(4-propan-2-ylpiperazin-1-yl)cyclohexane-1-carboxylic acid
PubChem CID63067589
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name4-methyl-2-(4-propan-2-ylpiperazin-1-yl)cyclohexane-1-carboxylic acid
SMILESCC1CCC(C(=O)O)C(N2CCN(C(C)C)CC2)C1
InChIInChI=1S/C15H28N2O2/c1-11(2)16-6-8-17(9-7-16)14-10-12(3)4-5-13(14)15(18)19/h11-14H,4-10H2,1-3H3,(H,18,19)
InChIKeySQPRLMKMNQWETH-UHFFFAOYSA-N
XLogP1.90
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-2-(4-propan-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

4-methyl-2-(4-propylpiperazin-1-yl)cyclohexane-1-carboxylic acid
CID 55179892
2-(8-azaspiro[4.5]decan-8-yl)-4-methylcyclohexane-1-carboxylic acid
CID 63161385
2-(4-butan-2-ylpiperazin-1-yl)-4-ethylcyclohexane-1-carboxylic acid
CID 63074579
2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylcyclohexane-1-carboxylic acid
CID 63067210
2-(4-butan-2-ylpiperazin-1-yl)cycloheptane-1-carboxylic acid
CID 63074577
(2S,4R,7S)-4-methyl-1,8-diazatricyclo[6.2.2.02,7]dodecane
CID 124935603
(1R,2S,4R)-4-methylcyclohexane-1,2-dicarboxylic acid
CID 92643804
(4-methylpiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 90447182
2-(4-hydroxypiperidin-1-yl)cyclobutane-1-carboxylic acid
CID 80997459
1-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]ethanone
CID 156836562
2-(4-methylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 63069445
4-hydroxy-1-propan-2-ylpiperidine-3-carboxylic acid
CID 83483363

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-propan-2-ylpiperazin-1-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-methyl-2-(4-propan-2-ylpiperazin-1-yl)cyclohexane-1-carboxylic acid (CID 63067589) is 4-methyl-2-(4-propan-2-ylpiperazin-1-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(4-propan-2-ylpiperazin-1-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methyl-2-(4-propan-2-ylpiperazin-1-yl)cyclohexane-1-carboxylic acid is CC1CCC(C(=O)O)C(N2CCN(C(C)C)CC2)C1.
What is the InChIKey of 4-methyl-2-(4-propan-2-ylpiperazin-1-yl)cyclohexane-1-carboxylic acid?
The InChIKey is SQPRLMKMNQWETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-11(2)16-6-8-17(9-7-16)14-10-12(3)4-5-13(14)15(18)19/h11-14H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 4-methyl-2-(4-propan-2-ylpiperazin-1-yl)cyclohexane-1-carboxylic acid?
4-methyl-2-(4-propan-2-ylpiperazin-1-yl)cyclohexane-1-carboxylic acid has a molecular weight of 268.40 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-propan-2-ylpiperazin-1-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63067589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).