tert-butyl 3-(aminomethyl)piperazine-1-carboxylate

C10H21N3O2 — CID 53413950

IUPACtert-butyl 3-(aminomethyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNC(CN)C1
InChIInChI=1S/C10H21N3O2/c1-10(2,3)15-9(14)13-5-4-12-8(6-11)7-13/h8,12H,4-7,11H2,1-3H3
InChIKeySYPBUUQIMIYTEN-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.15
Rot. Bonds1

About tert-butyl 3-(aminomethyl)piperazine-1-carboxylate

tert-butyl 3-(aminomethyl)piperazine-1-carboxylate (PubChem CID 53413950) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is tert-butyl 3-(aminomethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(aminomethyl)piperazine-1-carboxylate
PubChem CID53413950
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Nametert-butyl 3-(aminomethyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNC(CN)C1
InChIInChI=1S/C10H21N3O2/c1-10(2,3)15-9(14)13-5-4-12-8(6-11)7-13/h8,12H,4-7,11H2,1-3H3
InChIKeySYPBUUQIMIYTEN-UHFFFAOYSA-N
XLogP0.15
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(aminomethyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 3-(aminomethyl)piperazine-1-carboxylate (CID 53413950) is tert-butyl 3-(aminomethyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(aminomethyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(aminomethyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCNC(CN)C1.
What is the InChIKey of tert-butyl 3-(aminomethyl)piperazine-1-carboxylate?
The InChIKey is SYPBUUQIMIYTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-10(2,3)15-9(14)13-5-4-12-8(6-11)7-13/h8,12H,4-7,11H2,1-3H3.
What are the key properties of tert-butyl 3-(aminomethyl)piperazine-1-carboxylate?
tert-butyl 3-(aminomethyl)piperazine-1-carboxylate has a molecular weight of 215.30 g/mol, XLogP of 0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(aminomethyl)piperazine-1-carboxylate is sourced from PubChem (CID 53413950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).