1-tert-butyl-4-(1-tert-butylpiperidin-4-yl)piperazine

C17H35N3 — CID 59522791

IUPAC1-tert-butyl-4-(1-tert-butylpiperidin-4-yl)piperazine
SMILESCC(C)(C)N1CCC(N2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C17H35N3/c1-16(2,3)19-9-7-15(8-10-19)18-11-13-20(14-12-18)17(4,5)6/h15H,7-14H2,1-6H3
InChIKeySTWVWIXDFDYELU-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.67
Rot. Bonds1

About 1-tert-butyl-4-(1-tert-butylpiperidin-4-yl)piperazine

1-tert-butyl-4-(1-tert-butylpiperidin-4-yl)piperazine (PubChem CID 59522791) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 1-tert-butyl-4-(1-tert-butylpiperidin-4-yl)piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-(1-tert-butylpiperidin-4-yl)piperazine
PubChem CID59522791
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name1-tert-butyl-4-(1-tert-butylpiperidin-4-yl)piperazine
SMILESCC(C)(C)N1CCC(N2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C17H35N3/c1-16(2,3)19-9-7-15(8-10-19)18-11-13-20(14-12-18)17(4,5)6/h15H,7-14H2,1-6H3
InChIKeySTWVWIXDFDYELU-UHFFFAOYSA-N
XLogP2.67
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-tert-butyl-4-(1-tert-butylpiperidin-4-yl)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-tert-butyl-4-(1-tert-butylpiperidin-4-yl)piperazine?
The IUPAC name of 1-tert-butyl-4-(1-tert-butylpiperidin-4-yl)piperazine (CID 59522791) is 1-tert-butyl-4-(1-tert-butylpiperidin-4-yl)piperazine.
What is the SMILES notation for 1-tert-butyl-4-(1-tert-butylpiperidin-4-yl)piperazine?
The canonical SMILES for 1-tert-butyl-4-(1-tert-butylpiperidin-4-yl)piperazine is CC(C)(C)N1CCC(N2CCN(C(C)(C)C)CC2)CC1.
What is the InChIKey of 1-tert-butyl-4-(1-tert-butylpiperidin-4-yl)piperazine?
The InChIKey is STWVWIXDFDYELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-16(2,3)19-9-7-15(8-10-19)18-11-13-20(14-12-18)17(4,5)6/h15H,7-14H2,1-6H3.
What are the key properties of 1-tert-butyl-4-(1-tert-butylpiperidin-4-yl)piperazine?
1-tert-butyl-4-(1-tert-butylpiperidin-4-yl)piperazine has a molecular weight of 281.49 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(1-tert-butylpiperidin-4-yl)piperazine is sourced from PubChem (CID 59522791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).