methyl piperazine-1-carboxylate;hydrochloride

C6H13ClN2O2 — CID 18399648

IUPACmethyl piperazine-1-carboxylate;hydrochloride
SMILESCOC(=O)N1CCNCC1.Cl
InChIInChI=1S/C6H12N2O2.ClH/c1-10-6(9)8-4-2-7-3-5-8;/h7H,2-5H2,1H3;1H
InChIKeyRTMYJZVBCVZCCW-UHFFFAOYSA-N
MW180.63 g/mol
LogP0.08
Rot. Bonds

About methyl piperazine-1-carboxylate;hydrochloride

methyl piperazine-1-carboxylate;hydrochloride (PubChem CID 18399648) has the molecular formula C6H13ClN2O2 and a molecular weight of 180.63 g/mol. Its IUPAC name is methyl piperazine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl piperazine-1-carboxylate;hydrochloride
PubChem CID18399648
Molecular FormulaC6H13ClN2O2
Molecular Weight180.63 g/mol
Exact Mass180.07
IUPAC Namemethyl piperazine-1-carboxylate;hydrochloride
SMILESCOC(=O)N1CCNCC1.Cl
InChIInChI=1S/C6H12N2O2.ClH/c1-10-6(9)8-4-2-7-3-5-8;/h7H,2-5H2,1H3;1H
InChIKeyRTMYJZVBCVZCCW-UHFFFAOYSA-N
XLogP0.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.63
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl piperazine-1-carboxylate;hydrochloride?
The IUPAC name of methyl piperazine-1-carboxylate;hydrochloride (CID 18399648) is methyl piperazine-1-carboxylate;hydrochloride.
What is the SMILES notation for methyl piperazine-1-carboxylate;hydrochloride?
The canonical SMILES for methyl piperazine-1-carboxylate;hydrochloride is COC(=O)N1CCNCC1.Cl.
What is the InChIKey of methyl piperazine-1-carboxylate;hydrochloride?
The InChIKey is RTMYJZVBCVZCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2.ClH/c1-10-6(9)8-4-2-7-3-5-8;/h7H,2-5H2,1H3;1H.
What are the key properties of methyl piperazine-1-carboxylate;hydrochloride?
methyl piperazine-1-carboxylate;hydrochloride has a molecular weight of 180.63 g/mol, XLogP of 0.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl piperazine-1-carboxylate;hydrochloride is sourced from PubChem (CID 18399648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).