3,3,5-trimethyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid

C15H28N2O2 — CID 61343287

IUPAC3,3,5-trimethyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid
SMILESCC1CC(C)(C)CC(C(=O)O)(N2CCN(C)CC2)C1
InChIInChI=1S/C15H28N2O2/c1-12-9-14(2,3)11-15(10-12,13(18)19)17-7-5-16(4)6-8-17/h12H,5-11H2,1-4H3,(H,18,19)
InChIKeyIGYRLRQFYGXIKJ-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.90
Rot. Bonds2

About 3,3,5-trimethyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid

3,3,5-trimethyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid (PubChem CID 61343287) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3,3,5-trimethyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3,3,5-trimethyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid
PubChem CID61343287
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3,3,5-trimethyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid
SMILESCC1CC(C)(C)CC(C(=O)O)(N2CCN(C)CC2)C1
InChIInChI=1S/C15H28N2O2/c1-12-9-14(2,3)11-15(10-12,13(18)19)17-7-5-16(4)6-8-17/h12H,5-11H2,1-4H3,(H,18,19)
InChIKeyIGYRLRQFYGXIKJ-UHFFFAOYSA-N
XLogP1.90
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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 3,3,5-trimethyl-1-(4-methylpiperazin-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

Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 3,3,5-trimethyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid (CID 61343287) is 3,3,5-trimethyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3,3,5-trimethyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3,3,5-trimethyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid is CC1CC(C)(C)CC(C(=O)O)(N2CCN(C)CC2)C1.
What is the InChIKey of 3,3,5-trimethyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid?
The InChIKey is IGYRLRQFYGXIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12-9-14(2,3)11-15(10-12,13(18)19)17-7-5-16(4)6-8-17/h12H,5-11H2,1-4H3,(H,18,19).
What are the key properties of 3,3,5-trimethyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid?
3,3,5-trimethyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid has a molecular weight of 268.40 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61343287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).