tert-butyl 2-cyanopiperazine-1-carboxylate

C10H17N3O2 — CID 56923815

IUPACtert-butyl 2-cyanopiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNCC1C#N
InChIInChI=1S/C10H17N3O2/c1-10(2,3)15-9(14)13-5-4-12-7-8(13)6-11/h8,12H,4-5,7H2,1-3H3
InChIKeyYCIUFWZZINYMBA-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.72
Rot. Bonds

About tert-butyl 2-cyanopiperazine-1-carboxylate

tert-butyl 2-cyanopiperazine-1-carboxylate (PubChem CID 56923815) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is tert-butyl 2-cyanopiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-cyanopiperazine-1-carboxylate
PubChem CID56923815
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Nametert-butyl 2-cyanopiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNCC1C#N
InChIInChI=1S/C10H17N3O2/c1-10(2,3)15-9(14)13-5-4-12-7-8(13)6-11/h8,12H,4-5,7H2,1-3H3
InChIKeyYCIUFWZZINYMBA-UHFFFAOYSA-N
XLogP0.72
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-cyanopiperazine-1-carboxylate?
The IUPAC name of tert-butyl 2-cyanopiperazine-1-carboxylate (CID 56923815) is tert-butyl 2-cyanopiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-cyanopiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 2-cyanopiperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCNCC1C#N.
What is the InChIKey of tert-butyl 2-cyanopiperazine-1-carboxylate?
The InChIKey is YCIUFWZZINYMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-10(2,3)15-9(14)13-5-4-12-7-8(13)6-11/h8,12H,4-5,7H2,1-3H3.
What are the key properties of tert-butyl 2-cyanopiperazine-1-carboxylate?
tert-butyl 2-cyanopiperazine-1-carboxylate has a molecular weight of 211.26 g/mol, XLogP of 0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-cyanopiperazine-1-carboxylate is sourced from PubChem (CID 56923815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).