1-(1-tert-butylazetidin-3-yl)-4-(4-tert-butylphenyl)piperazine

C21H35N3 — CID 134582344

IUPAC1-(1-tert-butylazetidin-3-yl)-4-(4-tert-butylphenyl)piperazine
SMILESCC(C)(C)c1ccc(N2CCN(C3CN(C(C)(C)C)C3)CC2)cc1
InChIInChI=1S/C21H35N3/c1-20(2,3)17-7-9-18(10-8-17)22-11-13-23(14-12-22)19-15-24(16-19)21(4,5)6/h7-10,19H,11-16H2,1-6H3
InChIKeyMIWFQMHSLORTPS-UHFFFAOYSA-N
MW329.53 g/mol
LogP3.59
Rot. Bonds2

About 1-(1-tert-butylazetidin-3-yl)-4-(4-tert-butylphenyl)piperazine

1-(1-tert-butylazetidin-3-yl)-4-(4-tert-butylphenyl)piperazine (PubChem CID 134582344) has the molecular formula C21H35N3 and a molecular weight of 329.53 g/mol. Its IUPAC name is 1-(1-tert-butylazetidin-3-yl)-4-(4-tert-butylphenyl)piperazine.

Molecular Properties

Compound Name1-(1-tert-butylazetidin-3-yl)-4-(4-tert-butylphenyl)piperazine
PubChem CID134582344
Molecular FormulaC21H35N3
Molecular Weight329.53 g/mol
Exact Mass329.28
IUPAC Name1-(1-tert-butylazetidin-3-yl)-4-(4-tert-butylphenyl)piperazine
SMILESCC(C)(C)c1ccc(N2CCN(C3CN(C(C)(C)C)C3)CC2)cc1
InChIInChI=1S/C21H35N3/c1-20(2,3)17-7-9-18(10-8-17)22-11-13-23(14-12-22)19-15-24(16-19)21(4,5)6/h7-10,19H,11-16H2,1-6H3
InChIKeyMIWFQMHSLORTPS-UHFFFAOYSA-N
XLogP3.59
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.53
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(1-tert-butylazetidin-3-yl)-4-(4-tert-butylphenyl)piperazine 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-(1-tert-butylazetidin-3-yl)-4-(4-tert-butylphenyl)piperazine?
The IUPAC name of 1-(1-tert-butylazetidin-3-yl)-4-(4-tert-butylphenyl)piperazine (CID 134582344) is 1-(1-tert-butylazetidin-3-yl)-4-(4-tert-butylphenyl)piperazine.
What is the SMILES notation for 1-(1-tert-butylazetidin-3-yl)-4-(4-tert-butylphenyl)piperazine?
The canonical SMILES for 1-(1-tert-butylazetidin-3-yl)-4-(4-tert-butylphenyl)piperazine is CC(C)(C)c1ccc(N2CCN(C3CN(C(C)(C)C)C3)CC2)cc1.
What is the InChIKey of 1-(1-tert-butylazetidin-3-yl)-4-(4-tert-butylphenyl)piperazine?
The InChIKey is MIWFQMHSLORTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3/c1-20(2,3)17-7-9-18(10-8-17)22-11-13-23(14-12-22)19-15-24(16-19)21(4,5)6/h7-10,19H,11-16H2,1-6H3.
What are the key properties of 1-(1-tert-butylazetidin-3-yl)-4-(4-tert-butylphenyl)piperazine?
1-(1-tert-butylazetidin-3-yl)-4-(4-tert-butylphenyl)piperazine has a molecular weight of 329.53 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butylazetidin-3-yl)-4-(4-tert-butylphenyl)piperazine is sourced from PubChem (CID 134582344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).