tert-butylcarbamic acid;piperazine

C9H21N3O2 — CID 70137961

IUPACtert-butylcarbamic acid;piperazine
SMILESC1CNCCN1.CC(C)(C)NC(=O)O
InChIInChI=1S/C5H11NO2.C4H10N2/c1-5(2,3)6-4(7)8;1-2-6-4-3-5-1/h6H,1-3H3,(H,7,8);5-6H,1-4H2
InChIKeyUAEPADLSZMDVNF-UHFFFAOYSA-N
MW203.29 g/mol
LogP0.23
Rot. Bonds

About tert-butylcarbamic acid;piperazine

tert-butylcarbamic acid;piperazine (PubChem CID 70137961) has the molecular formula C9H21N3O2 and a molecular weight of 203.29 g/mol. Its IUPAC name is tert-butylcarbamic acid;piperazine.

Molecular Properties

Compound Nametert-butylcarbamic acid;piperazine
PubChem CID70137961
Molecular FormulaC9H21N3O2
Molecular Weight203.29 g/mol
Exact Mass203.16
IUPAC Nametert-butylcarbamic acid;piperazine
SMILESC1CNCCN1.CC(C)(C)NC(=O)O
InChIInChI=1S/C5H11NO2.C4H10N2/c1-5(2,3)6-4(7)8;1-2-6-4-3-5-1/h6H,1-3H3,(H,7,8);5-6H,1-4H2
InChIKeyUAEPADLSZMDVNF-UHFFFAOYSA-N
XLogP0.23
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 50.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butylcarbamic acid;piperazine?
The IUPAC name of tert-butylcarbamic acid;piperazine (CID 70137961) is tert-butylcarbamic acid;piperazine.
What is the SMILES notation for tert-butylcarbamic acid;piperazine?
The canonical SMILES for tert-butylcarbamic acid;piperazine is C1CNCCN1.CC(C)(C)NC(=O)O.
What is the InChIKey of tert-butylcarbamic acid;piperazine?
The InChIKey is UAEPADLSZMDVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.C4H10N2/c1-5(2,3)6-4(7)8;1-2-6-4-3-5-1/h6H,1-3H3,(H,7,8);5-6H,1-4H2.
What are the key properties of tert-butylcarbamic acid;piperazine?
tert-butylcarbamic acid;piperazine has a molecular weight of 203.29 g/mol, XLogP of 0.23, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylcarbamic acid;piperazine is sourced from PubChem (CID 70137961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).