methyl piperazin-4-ium-1-carboxylate

C6H13N2O2+ — CID 6992848

IUPACmethyl piperazin-4-ium-1-carboxylate
SMILESCOC(=O)N1CC[NH2+]CC1
InChIInChI=1S/C6H12N2O2/c1-10-6(9)8-4-2-7-3-5-8/h7H,2-5H2,1H3/p+1
InChIKeyZPJZSEHCMJYUPI-UHFFFAOYSA-O
MW145.18 g/mol
LogP-1.37
Rot. Bonds

About methyl piperazin-4-ium-1-carboxylate

methyl piperazin-4-ium-1-carboxylate (PubChem CID 6992848) has the molecular formula C6H13N2O2+ and a molecular weight of 145.18 g/mol. Its IUPAC name is methyl piperazin-4-ium-1-carboxylate.

Molecular Properties

Compound Namemethyl piperazin-4-ium-1-carboxylate
PubChem CID6992848
Molecular FormulaC6H13N2O2+
Molecular Weight145.18 g/mol
Exact Mass145.10
IUPAC Namemethyl piperazin-4-ium-1-carboxylate
SMILESCOC(=O)N1CC[NH2+]CC1
InChIInChI=1S/C6H12N2O2/c1-10-6(9)8-4-2-7-3-5-8/h7H,2-5H2,1H3/p+1
InChIKeyZPJZSEHCMJYUPI-UHFFFAOYSA-O
XLogP-1.37
TPSA46.15 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 5-1.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl piperazin-4-ium-1-carboxylate?
The IUPAC name of methyl piperazin-4-ium-1-carboxylate (CID 6992848) is methyl piperazin-4-ium-1-carboxylate.
What is the SMILES notation for methyl piperazin-4-ium-1-carboxylate?
The canonical SMILES for methyl piperazin-4-ium-1-carboxylate is COC(=O)N1CC[NH2+]CC1.
What is the InChIKey of methyl piperazin-4-ium-1-carboxylate?
The InChIKey is ZPJZSEHCMJYUPI-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H12N2O2/c1-10-6(9)8-4-2-7-3-5-8/h7H,2-5H2,1H3/p+1.
What are the key properties of methyl piperazin-4-ium-1-carboxylate?
methyl piperazin-4-ium-1-carboxylate has a molecular weight of 145.18 g/mol, XLogP of -1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl piperazin-4-ium-1-carboxylate is sourced from PubChem (CID 6992848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).