tert-butyl piperazine-1-carboxylate

C18H36N4O4 — CID 66735026

IUPACtert-butyl piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNCC1.CC(C)(C)OC(=O)N1CCNCC1
InChIInChI=1S/2C9H18N2O2/c2*1-9(2,3)13-8(12)11-6-4-10-5-7-11/h2*10H,4-7H2,1-3H3
InChIKeyGCSSSCOWYZYEFZ-UHFFFAOYSA-N
MW372.51 g/mol
LogP1.65
Rot. Bonds

About tert-butyl piperazine-1-carboxylate

tert-butyl piperazine-1-carboxylate (PubChem CID 66735026) has the molecular formula C18H36N4O4 and a molecular weight of 372.51 g/mol. Its IUPAC name is tert-butyl piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl piperazine-1-carboxylate
PubChem CID66735026
Molecular FormulaC18H36N4O4
Molecular Weight372.51 g/mol
Exact Mass372.27
IUPAC Nametert-butyl piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNCC1.CC(C)(C)OC(=O)N1CCNCC1
InChIInChI=1S/2C9H18N2O2/c2*1-9(2,3)13-8(12)11-6-4-10-5-7-11/h2*10H,4-7H2,1-3H3
InChIKeyGCSSSCOWYZYEFZ-UHFFFAOYSA-N
XLogP1.65
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-Butyl piperazine-1-carboxylate
CID 143452
1-(2-N-Boc-aminoethyl)piperazine
CID 1514401
1,4,8-Tri-Boc-1,4,8,11-tetraazacyclotetradecane
CID 10940041
tert-Butyl 4-(2-(methylamino)ethyl)piperazine-1-carboxylate
CID 23081391
tert-butyl N-[2-[bis[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]ethyl]carbamate
CID 12015678
Tri-tert-Butyl 1,4,7,10-tetraazacyclododecane-1,4,7-tricarboxylate
CID 10885210
Tert-butyl 4-(piperazine-1-carbonyl)piperazine-1-carboxylate
CID 18432746
Tert-butyl 4-[2-(piperazin-1-yl)ethyl]piperazine-1-carboxylate
CID 19420472
Tert-butyl 2,2,3,3,5,5,6,6-octadeuteriopiperazine-1-carboxylate
CID 45038414
tert-Butyl (2-(4-(2-aminoethyl)piperazin-1-yl)ethyl)carbamate
CID 71530921
Methyl-tris[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]azanium iodide
CID 12015679
Tert-butyl 4-[4-(piperazin-1-yl)butyl]piperazine-1-carboxylate
CID 155937636

Frequently Asked Questions

What is the IUPAC name of tert-butyl piperazine-1-carboxylate?
The IUPAC name of tert-butyl piperazine-1-carboxylate (CID 66735026) is tert-butyl piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl piperazine-1-carboxylate?
The canonical SMILES for tert-butyl piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCNCC1.CC(C)(C)OC(=O)N1CCNCC1.
What is the InChIKey of tert-butyl piperazine-1-carboxylate?
The InChIKey is GCSSSCOWYZYEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H18N2O2/c2*1-9(2,3)13-8(12)11-6-4-10-5-7-11/h2*10H,4-7H2,1-3H3.
What are the key properties of tert-butyl piperazine-1-carboxylate?
tert-butyl piperazine-1-carboxylate has a molecular weight of 372.51 g/mol, XLogP of 1.65, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl piperazine-1-carboxylate is sourced from PubChem (CID 66735026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).