1-tert-butyl-4-[2-[3-(2-methyl-2-piperazin-1-ylpropyl)pyrrolidin-1-yl]ethyl]piperazine

C22H45N5 — CID 126732640

IUPAC1-tert-butyl-4-[2-[3-(2-methyl-2-piperazin-1-ylpropyl)pyrrolidin-1-yl]ethyl]piperazine
SMILESCC(C)(C)N1CCN(CCN2CCC(CC(C)(C)N3CCNCC3)C2)CC1
InChIInChI=1S/C22H45N5/c1-21(2,3)26-16-14-24(15-17-26)12-13-25-9-6-20(19-25)18-22(4,5)27-10-7-23-8-11-27/h20,23H,6-19H2,1-5H3
InChIKeyQEANSRLQSWYHNW-UHFFFAOYSA-N
MW379.64 g/mol
LogP1.80
Rot. Bonds6

About 1-tert-butyl-4-[2-[3-(2-methyl-2-piperazin-1-ylpropyl)pyrrolidin-1-yl]ethyl]piperazine

1-tert-butyl-4-[2-[3-(2-methyl-2-piperazin-1-ylpropyl)pyrrolidin-1-yl]ethyl]piperazine (PubChem CID 126732640) has the molecular formula C22H45N5 and a molecular weight of 379.64 g/mol. Its IUPAC name is 1-tert-butyl-4-[2-[3-(2-methyl-2-piperazin-1-ylpropyl)pyrrolidin-1-yl]ethyl]piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-[2-[3-(2-methyl-2-piperazin-1-ylpropyl)pyrrolidin-1-yl]ethyl]piperazine
PubChem CID126732640
Molecular FormulaC22H45N5
Molecular Weight379.64 g/mol
Exact Mass379.37
IUPAC Name1-tert-butyl-4-[2-[3-(2-methyl-2-piperazin-1-ylpropyl)pyrrolidin-1-yl]ethyl]piperazine
SMILESCC(C)(C)N1CCN(CCN2CCC(CC(C)(C)N3CCNCC3)C2)CC1
InChIInChI=1S/C22H45N5/c1-21(2,3)26-16-14-24(15-17-26)12-13-25-9-6-20(19-25)18-22(4,5)27-10-7-23-8-11-27/h20,23H,6-19H2,1-5H3
InChIKeyQEANSRLQSWYHNW-UHFFFAOYSA-N
XLogP1.80
TPSA24.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.64
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-tert-butyl-4-[2-[3-(2-methyl-2-piperazin-1-ylpropyl)pyrrolidin-1-yl]ethyl]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-[2-[3-(2-methyl-2-piperazin-1-ylpropyl)pyrrolidin-1-yl]ethyl]piperazine?
The IUPAC name of 1-tert-butyl-4-[2-[3-(2-methyl-2-piperazin-1-ylpropyl)pyrrolidin-1-yl]ethyl]piperazine (CID 126732640) is 1-tert-butyl-4-[2-[3-(2-methyl-2-piperazin-1-ylpropyl)pyrrolidin-1-yl]ethyl]piperazine.
What is the SMILES notation for 1-tert-butyl-4-[2-[3-(2-methyl-2-piperazin-1-ylpropyl)pyrrolidin-1-yl]ethyl]piperazine?
The canonical SMILES for 1-tert-butyl-4-[2-[3-(2-methyl-2-piperazin-1-ylpropyl)pyrrolidin-1-yl]ethyl]piperazine is CC(C)(C)N1CCN(CCN2CCC(CC(C)(C)N3CCNCC3)C2)CC1.
What is the InChIKey of 1-tert-butyl-4-[2-[3-(2-methyl-2-piperazin-1-ylpropyl)pyrrolidin-1-yl]ethyl]piperazine?
The InChIKey is QEANSRLQSWYHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45N5/c1-21(2,3)26-16-14-24(15-17-26)12-13-25-9-6-20(19-25)18-22(4,5)27-10-7-23-8-11-27/h20,23H,6-19H2,1-5H3.
What are the key properties of 1-tert-butyl-4-[2-[3-(2-methyl-2-piperazin-1-ylpropyl)pyrrolidin-1-yl]ethyl]piperazine?
1-tert-butyl-4-[2-[3-(2-methyl-2-piperazin-1-ylpropyl)pyrrolidin-1-yl]ethyl]piperazine has a molecular weight of 379.64 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[2-[3-(2-methyl-2-piperazin-1-ylpropyl)pyrrolidin-1-yl]ethyl]piperazine is sourced from PubChem (CID 126732640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).