methyl 1-benzylpiperazine-2-carboxylate

C13H18N2O2 — CID 22721935

IUPACmethyl 1-benzylpiperazine-2-carboxylate
SMILESCOC(=O)C1CNCCN1Cc1ccccc1
InChIInChI=1S/C13H18N2O2/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
InChIKeySQXCAHIDKZNQFO-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.63
Rot. Bonds3

About methyl 1-benzylpiperazine-2-carboxylate

methyl 1-benzylpiperazine-2-carboxylate (PubChem CID 22721935) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is methyl 1-benzylpiperazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-benzylpiperazine-2-carboxylate
PubChem CID22721935
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Namemethyl 1-benzylpiperazine-2-carboxylate
SMILESCOC(=O)C1CNCCN1Cc1ccccc1
InChIInChI=1S/C13H18N2O2/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
InChIKeySQXCAHIDKZNQFO-UHFFFAOYSA-N
XLogP0.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 1-benzylpiperazine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-benzylpiperazine-2-carboxylate;hydrochloride
CID 53487359
methyl 1-[(4-chlorophenyl)methyl]piperazine-2-carboxylate
CID 66877095
ethyl 1-benzylpiperazine-2-carboxylate;hydrochloride
CID 53487540
methyl (2S)-1-benzylazetidine-2-carboxylate
CID 12727480
methyl (2R)-1-benzylazetidine-2-carboxylate
CID 10976617
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988
1-O-benzyl 2-O-methyl piperazine-1,2-dicarboxylate
CID 14751355
ethyl 1-[(4-chlorophenyl)methyl]piperazine-2-carboxylate
CID 10850510
1-[(3-chlorophenyl)methyl]piperazine-2-carboxylic acid;hydrochloride
CID 156595749
(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
CID 131855743

Frequently Asked Questions

What is the IUPAC name of methyl 1-benzylpiperazine-2-carboxylate?
The IUPAC name of methyl 1-benzylpiperazine-2-carboxylate (CID 22721935) is methyl 1-benzylpiperazine-2-carboxylate.
What is the SMILES notation for methyl 1-benzylpiperazine-2-carboxylate?
The canonical SMILES for methyl 1-benzylpiperazine-2-carboxylate is COC(=O)C1CNCCN1Cc1ccccc1.
What is the InChIKey of methyl 1-benzylpiperazine-2-carboxylate?
The InChIKey is SQXCAHIDKZNQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/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.
What are the key properties of methyl 1-benzylpiperazine-2-carboxylate?
methyl 1-benzylpiperazine-2-carboxylate has a molecular weight of 234.30 g/mol, XLogP of 0.63, 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 is sourced from PubChem (CID 22721935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).