1-tert-butyl-4-cyclopropylpiperazine

C11H22N2 — CID 58311593

IUPAC1-tert-butyl-4-cyclopropylpiperazine
SMILESCC(C)(C)N1CCN(C2CC2)CC1
InChIInChI=1S/C11H22N2/c1-11(2,3)13-8-6-12(7-9-13)10-4-5-10/h10H,4-9H2,1-3H3
InChIKeyVNHNFFSNJIPOSL-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.56
Rot. Bonds1

About 1-tert-butyl-4-cyclopropylpiperazine

1-tert-butyl-4-cyclopropylpiperazine (PubChem CID 58311593) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-tert-butyl-4-cyclopropylpiperazine.

Molecular Properties

Compound Name1-tert-butyl-4-cyclopropylpiperazine
PubChem CID58311593
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-tert-butyl-4-cyclopropylpiperazine
SMILESCC(C)(C)N1CCN(C2CC2)CC1
InChIInChI=1S/C11H22N2/c1-11(2,3)13-8-6-12(7-9-13)10-4-5-10/h10H,4-9H2,1-3H3
InChIKeyVNHNFFSNJIPOSL-UHFFFAOYSA-N
XLogP1.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-tert-butyl-4-cyclopropylpiperazine 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 1-tert-butyl-4-cyclopropylpiperazine?
The IUPAC name of 1-tert-butyl-4-cyclopropylpiperazine (CID 58311593) is 1-tert-butyl-4-cyclopropylpiperazine.
What is the SMILES notation for 1-tert-butyl-4-cyclopropylpiperazine?
The canonical SMILES for 1-tert-butyl-4-cyclopropylpiperazine is CC(C)(C)N1CCN(C2CC2)CC1.
What is the InChIKey of 1-tert-butyl-4-cyclopropylpiperazine?
The InChIKey is VNHNFFSNJIPOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-11(2,3)13-8-6-12(7-9-13)10-4-5-10/h10H,4-9H2,1-3H3.
What are the key properties of 1-tert-butyl-4-cyclopropylpiperazine?
1-tert-butyl-4-cyclopropylpiperazine has a molecular weight of 182.31 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-cyclopropylpiperazine is sourced from PubChem (CID 58311593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).