methyl 1-benzylpiperazine-2-carboxylate;hydrochloride

C13H19ClN2O2 — CID 53487359

IUPACmethyl 1-benzylpiperazine-2-carboxylate;hydrochloride
SMILESCOC(=O)C1CNCCN1Cc1ccccc1.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-17-13(16)12-9-14-7-8-15(12)10-11-5-3-2-4-6-11;/h2-6,12,14H,7-10H2,1H3;1H
InChIKeySCFMFTHXAGYBSK-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.06
Rot. Bonds3

About methyl 1-benzylpiperazine-2-carboxylate;hydrochloride

methyl 1-benzylpiperazine-2-carboxylate;hydrochloride (PubChem CID 53487359) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is methyl 1-benzylpiperazine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 1-benzylpiperazine-2-carboxylate;hydrochloride
PubChem CID53487359
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Namemethyl 1-benzylpiperazine-2-carboxylate;hydrochloride
SMILESCOC(=O)C1CNCCN1Cc1ccccc1.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-17-13(16)12-9-14-7-8-15(12)10-11-5-3-2-4-6-11;/h2-6,12,14H,7-10H2,1H3;1H
InChIKeySCFMFTHXAGYBSK-UHFFFAOYSA-N
XLogP1.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-benzylpiperazine-2-carboxylate
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ethyl 1-benzylpiperazine-2-carboxylate;hydrochloride
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methyl (2R)-1-benzylazetidine-2-carboxylate
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methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
1-[(3-chlorophenyl)methyl]piperazine-2-carboxylic acid;hydrochloride
CID 156595749
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988
ethyl 1-[(4-chlorophenyl)methyl]piperazine-2-carboxylate
CID 10850510
1-O-benzyl 2-O-methyl piperazine-1,2-dicarboxylate
CID 14751355
(2R)-1-[(4-fluorophenyl)methyl]piperazine-2-carboxylic acid
CID 86329900
(E)-1,4-diphenylbut-2-ene-1,4-dione;methyl 1-phenylpiperazine-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of methyl 1-benzylpiperazine-2-carboxylate;hydrochloride?
The IUPAC name of methyl 1-benzylpiperazine-2-carboxylate;hydrochloride (CID 53487359) is methyl 1-benzylpiperazine-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 1-benzylpiperazine-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 1-benzylpiperazine-2-carboxylate;hydrochloride is COC(=O)C1CNCCN1Cc1ccccc1.Cl.
What is the InChIKey of methyl 1-benzylpiperazine-2-carboxylate;hydrochloride?
The InChIKey is SCFMFTHXAGYBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2.ClH/c1-17-13(16)12-9-14-7-8-15(12)10-11-5-3-2-4-6-11;/h2-6,12,14H,7-10H2,1H3;1H.
What are the key properties of methyl 1-benzylpiperazine-2-carboxylate;hydrochloride?
methyl 1-benzylpiperazine-2-carboxylate;hydrochloride has a molecular weight of 270.76 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-benzylpiperazine-2-carboxylate;hydrochloride is sourced from PubChem (CID 53487359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).