tert-butyl 3-piperazin-1-ylpyrrolidine-1-carboxylate

C13H25N3O2 — CID 53216205

IUPACtert-butyl 3-piperazin-1-ylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2CCNCC2)C1
InChIInChI=1S/C13H25N3O2/c1-13(2,3)18-12(17)16-7-4-11(10-16)15-8-5-14-6-9-15/h11,14H,4-10H2,1-3H3
InChIKeyHCNFKJFDUHUDTA-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.90
Rot. Bonds1

About tert-butyl 3-piperazin-1-ylpyrrolidine-1-carboxylate

tert-butyl 3-piperazin-1-ylpyrrolidine-1-carboxylate (PubChem CID 53216205) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl 3-piperazin-1-ylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-piperazin-1-ylpyrrolidine-1-carboxylate
PubChem CID53216205
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Nametert-butyl 3-piperazin-1-ylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2CCNCC2)C1
InChIInChI=1S/C13H25N3O2/c1-13(2,3)18-12(17)16-7-4-11(10-16)15-8-5-14-6-9-15/h11,14H,4-10H2,1-3H3
InChIKeyHCNFKJFDUHUDTA-UHFFFAOYSA-N
XLogP0.90
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3-piperazin-1-ylpyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-piperazin-1-ylpiperidine-1-carboxylate;dihydrochloride
CID 68579096
tert-butyl 3-(4-oxopiperidin-1-yl)pyrrolidine-1-carboxylate
CID 76644324
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]azetidine-3-carboxylic acid
CID 44828647
tert-butyl 3-(3-aminoazetidin-1-yl)pyrrolidine-1-carboxylate
CID 45072283
tert-butyl 4-(7,7-dideuterio-1,4-diazepan-1-yl)piperidine-1-carboxylate
CID 118887212
2,2-dimethyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 120996566
tert-butyl 3-(2,6-dimethylmorpholin-4-yl)pyrrolidine-1-carboxylate
CID 123619361
tert-butyl 1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate
CID 63788851
tert-butyl 9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxylate
CID 18545171
tert-butyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 57428961
tert-butyl piperazine-1-carboxylate;methane
CID 174471990
tert-butyl (3S)-3-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate
CID 129353870

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-piperazin-1-ylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-piperazin-1-ylpyrrolidine-1-carboxylate (CID 53216205) is tert-butyl 3-piperazin-1-ylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-piperazin-1-ylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-piperazin-1-ylpyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N2CCNCC2)C1.
What is the InChIKey of tert-butyl 3-piperazin-1-ylpyrrolidine-1-carboxylate?
The InChIKey is HCNFKJFDUHUDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-13(2,3)18-12(17)16-7-4-11(10-16)15-8-5-14-6-9-15/h11,14H,4-10H2,1-3H3.
What are the key properties of tert-butyl 3-piperazin-1-ylpyrrolidine-1-carboxylate?
tert-butyl 3-piperazin-1-ylpyrrolidine-1-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-piperazin-1-ylpyrrolidine-1-carboxylate is sourced from PubChem (CID 53216205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).