tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-propan-2-ylpiperazine

C19H40N4O2 — CID 162107633

IUPACtert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C(=O)OC(C)(C)C)CC1.CC(C)N1CCNCC1
InChIInChI=1S/C12H24N2O2.C7H16N2/c1-10(2)13-6-8-14(9-7-13)11(15)16-12(3,4)5;1-7(2)9-5-3-8-4-6-9/h10H,6-9H2,1-5H3;7-8H,3-6H2,1-2H3
InChIKeyZFSJFCNHPHANOM-UHFFFAOYSA-N
MW356.56 g/mol
LogP2.25
Rot. Bonds2

About tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-propan-2-ylpiperazine

tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-propan-2-ylpiperazine (PubChem CID 162107633) has the molecular formula C19H40N4O2 and a molecular weight of 356.56 g/mol. Its IUPAC name is tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-propan-2-ylpiperazine.

Molecular Properties

Compound Nametert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-propan-2-ylpiperazine
PubChem CID162107633
Molecular FormulaC19H40N4O2
Molecular Weight356.56 g/mol
Exact Mass356.32
IUPAC Nametert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C(=O)OC(C)(C)C)CC1.CC(C)N1CCNCC1
InChIInChI=1S/C12H24N2O2.C7H16N2/c1-10(2)13-6-8-14(9-7-13)11(15)16-12(3,4)5;1-7(2)9-5-3-8-4-6-9/h10H,6-9H2,1-5H3;7-8H,3-6H2,1-2H3
InChIKeyZFSJFCNHPHANOM-UHFFFAOYSA-N
XLogP2.25
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.56
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-propan-2-ylpiperazine 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-propan-2-ylpiperazine-1-carboxylate;1-propan-2-ylpiperazine?
The IUPAC name of tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-propan-2-ylpiperazine (CID 162107633) is tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-propan-2-ylpiperazine.
What is the SMILES notation for tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-propan-2-ylpiperazine?
The canonical SMILES for tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-propan-2-ylpiperazine is CC(C)N1CCN(C(=O)OC(C)(C)C)CC1.CC(C)N1CCNCC1.
What is the InChIKey of tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-propan-2-ylpiperazine?
The InChIKey is ZFSJFCNHPHANOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2.C7H16N2/c1-10(2)13-6-8-14(9-7-13)11(15)16-12(3,4)5;1-7(2)9-5-3-8-4-6-9/h10H,6-9H2,1-5H3;7-8H,3-6H2,1-2H3.
What are the key properties of tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-propan-2-ylpiperazine?
tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-propan-2-ylpiperazine has a molecular weight of 356.56 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-propan-2-ylpiperazine is sourced from PubChem (CID 162107633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).