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

C16H32N2O2 — CID 58334515

IUPACtert-butyl 4-tert-butyl-2-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)C1CN(C(C)(C)C)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O2/c1-12(2)13-11-17(15(3,4)5)9-10-18(13)14(19)20-16(6,7)8/h12-13H,9-11H2,1-8H3
InChIKeyUQPYLAVFRPTGLN-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.36
Rot. Bonds1

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

tert-butyl 4-tert-butyl-2-propan-2-ylpiperazine-1-carboxylate (PubChem CID 58334515) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is tert-butyl 4-tert-butyl-2-propan-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-tert-butyl-2-propan-2-ylpiperazine-1-carboxylate
PubChem CID58334515
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nametert-butyl 4-tert-butyl-2-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)C1CN(C(C)(C)C)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O2/c1-12(2)13-11-17(15(3,4)5)9-10-18(13)14(19)20-16(6,7)8/h12-13H,9-11H2,1-8H3
InChIKeyUQPYLAVFRPTGLN-UHFFFAOYSA-N
XLogP3.36
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 4-tert-butyl-2-propan-2-ylpiperazine-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 2-propan-2-ylaziridine-1-carboxylate
CID 73192324
tert-butyl (2R)-2,4-di(propan-2-yl)piperazine-1-carboxylate
CID 168850650
1-O-tert-butyl 2-O-methyl (2S)-4-tert-butylpiperazine-1,2-dicarboxylate
CID 102106555
tert-butyl 4-tert-butyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazine-1-carboxylate
CID 53419941
tert-butyl (2S)-4-benzyl-2-propan-2-ylpiperazine-1-carboxylate
CID 97290469
tert-butyl (2R)-2-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxylate
CID 95566963
tert-butyl (2S)-4-(6-bromo-1,2,4-triazin-3-yl)-2-propan-2-ylpiperazine-1-carboxylate
CID 155722577
tert-butyl 2-[(1R)-1-hydroxyethyl]piperidine-1-carboxylate
CID 130691829
tert-butyl (2S)-2-[(1S)-1-hydroxyethyl]piperidine-1-carboxylate
CID 94855628
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]propanoic acid
CID 23091770
ditert-butyl 6-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b]pyrazine-1,4-dicarboxylate
CID 22609586
(2R,5S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-propan-2-ylmorpholine-2-carboxylic acid
CID 162723825

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-tert-butyl-2-propan-2-ylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-tert-butyl-2-propan-2-ylpiperazine-1-carboxylate (CID 58334515) is tert-butyl 4-tert-butyl-2-propan-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-tert-butyl-2-propan-2-ylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-tert-butyl-2-propan-2-ylpiperazine-1-carboxylate is CC(C)C1CN(C(C)(C)C)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-tert-butyl-2-propan-2-ylpiperazine-1-carboxylate?
The InChIKey is UQPYLAVFRPTGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-12(2)13-11-17(15(3,4)5)9-10-18(13)14(19)20-16(6,7)8/h12-13H,9-11H2,1-8H3.
What are the key properties of tert-butyl 4-tert-butyl-2-propan-2-ylpiperazine-1-carboxylate?
tert-butyl 4-tert-butyl-2-propan-2-ylpiperazine-1-carboxylate has a molecular weight of 284.44 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-tert-butyl-2-propan-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 58334515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).