tert-butyl 4-(2,2-dimethyl-3-oxopropyl)piperazine-1-carboxylate

C14H26N2O3 — CID 15718280

IUPACtert-butyl 4-(2,2-dimethyl-3-oxopropyl)piperazine-1-carboxylate
SMILESCC(C)(C=O)CN1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O3/c1-13(2,3)19-12(18)16-8-6-15(7-9-16)10-14(4,5)11-17/h11H,6-10H2,1-5H3
InChIKeyKDXMACAZIDPMMP-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.76
Rot. Bonds3

About tert-butyl 4-(2,2-dimethyl-3-oxopropyl)piperazine-1-carboxylate

tert-butyl 4-(2,2-dimethyl-3-oxopropyl)piperazine-1-carboxylate (PubChem CID 15718280) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl 4-(2,2-dimethyl-3-oxopropyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2,2-dimethyl-3-oxopropyl)piperazine-1-carboxylate
PubChem CID15718280
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl 4-(2,2-dimethyl-3-oxopropyl)piperazine-1-carboxylate
SMILESCC(C)(C=O)CN1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O3/c1-13(2,3)19-12(18)16-8-6-15(7-9-16)10-14(4,5)11-17/h11H,6-10H2,1-5H3
InChIKeyKDXMACAZIDPMMP-UHFFFAOYSA-N
XLogP1.76
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze tert-butyl 4-(2,2-dimethyl-3-oxopropyl)piperazine-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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2,2-dimethyl-3-oxopropyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2,2-dimethyl-3-oxopropyl)piperazine-1-carboxylate (CID 15718280) is tert-butyl 4-(2,2-dimethyl-3-oxopropyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2,2-dimethyl-3-oxopropyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2,2-dimethyl-3-oxopropyl)piperazine-1-carboxylate is CC(C)(C=O)CN1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(2,2-dimethyl-3-oxopropyl)piperazine-1-carboxylate?
The InChIKey is KDXMACAZIDPMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-13(2,3)19-12(18)16-8-6-15(7-9-16)10-14(4,5)11-17/h11H,6-10H2,1-5H3.
What are the key properties of tert-butyl 4-(2,2-dimethyl-3-oxopropyl)piperazine-1-carboxylate?
tert-butyl 4-(2,2-dimethyl-3-oxopropyl)piperazine-1-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2,2-dimethyl-3-oxopropyl)piperazine-1-carboxylate is sourced from PubChem (CID 15718280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).