2-(4-tert-butylcyclohexyl)-2-piperazin-1-ylacetic acid

C16H30N2O2 — CID 104575554

IUPAC2-(4-tert-butylcyclohexyl)-2-piperazin-1-ylacetic acid
SMILESCC(C)(C)C1CCC(C(C(=O)O)N2CCNCC2)CC1
InChIInChI=1S/C16H30N2O2/c1-16(2,3)13-6-4-12(5-7-13)14(15(19)20)18-10-8-17-9-11-18/h12-14,17H,4-11H2,1-3H3,(H,19,20)
InChIKeyFRUOTCJYJKJRHA-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.20
Rot. Bonds3

About 2-(4-tert-butylcyclohexyl)-2-piperazin-1-ylacetic acid

2-(4-tert-butylcyclohexyl)-2-piperazin-1-ylacetic acid (PubChem CID 104575554) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-(4-tert-butylcyclohexyl)-2-piperazin-1-ylacetic acid.

Molecular Properties

Compound Name2-(4-tert-butylcyclohexyl)-2-piperazin-1-ylacetic acid
PubChem CID104575554
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2-(4-tert-butylcyclohexyl)-2-piperazin-1-ylacetic acid
SMILESCC(C)(C)C1CCC(C(C(=O)O)N2CCNCC2)CC1
InChIInChI=1S/C16H30N2O2/c1-16(2,3)13-6-4-12(5-7-13)14(15(19)20)18-10-8-17-9-11-18/h12-14,17H,4-11H2,1-3H3,(H,19,20)
InChIKeyFRUOTCJYJKJRHA-UHFFFAOYSA-N
XLogP2.20
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-tert-butylcyclohexyl)-2-piperazin-1-ylacetic 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 2-(4-tert-butylcyclohexyl)-2-piperazin-1-ylacetic acid?
The IUPAC name of 2-(4-tert-butylcyclohexyl)-2-piperazin-1-ylacetic acid (CID 104575554) is 2-(4-tert-butylcyclohexyl)-2-piperazin-1-ylacetic acid.
What is the SMILES notation for 2-(4-tert-butylcyclohexyl)-2-piperazin-1-ylacetic acid?
The canonical SMILES for 2-(4-tert-butylcyclohexyl)-2-piperazin-1-ylacetic acid is CC(C)(C)C1CCC(C(C(=O)O)N2CCNCC2)CC1.
What is the InChIKey of 2-(4-tert-butylcyclohexyl)-2-piperazin-1-ylacetic acid?
The InChIKey is FRUOTCJYJKJRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-16(2,3)13-6-4-12(5-7-13)14(15(19)20)18-10-8-17-9-11-18/h12-14,17H,4-11H2,1-3H3,(H,19,20).
What are the key properties of 2-(4-tert-butylcyclohexyl)-2-piperazin-1-ylacetic acid?
2-(4-tert-butylcyclohexyl)-2-piperazin-1-ylacetic acid has a molecular weight of 282.43 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylcyclohexyl)-2-piperazin-1-ylacetic acid is sourced from PubChem (CID 104575554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).