methyl 1,4-dibenzylpiperazine-2-carboxylate;hydrochloride

C20H25ClN2O2 — CID 45264773

IUPACmethyl 1,4-dibenzylpiperazine-2-carboxylate;hydrochloride
SMILESCOC(=O)C1CN(Cc2ccccc2)CCN1Cc1ccccc1.Cl
InChIInChI=1S/C20H24N2O2.ClH/c1-24-20(23)19-16-21(14-17-8-4-2-5-9-17)12-13-22(19)15-18-10-6-3-7-11-18;/h2-11,19H,12-16H2,1H3;1H
InChIKeyARWFTCCELMXLDY-UHFFFAOYSA-N
MW360.88 g/mol
LogP2.97
Rot. Bonds5

About methyl 1,4-dibenzylpiperazine-2-carboxylate;hydrochloride

methyl 1,4-dibenzylpiperazine-2-carboxylate;hydrochloride (PubChem CID 45264773) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.88 g/mol. Its IUPAC name is methyl 1,4-dibenzylpiperazine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 1,4-dibenzylpiperazine-2-carboxylate;hydrochloride
PubChem CID45264773
Molecular FormulaC20H25ClN2O2
Molecular Weight360.88 g/mol
Exact Mass360.16
IUPAC Namemethyl 1,4-dibenzylpiperazine-2-carboxylate;hydrochloride
SMILESCOC(=O)C1CN(Cc2ccccc2)CCN1Cc1ccccc1.Cl
InChIInChI=1S/C20H24N2O2.ClH/c1-24-20(23)19-16-21(14-17-8-4-2-5-9-17)12-13-22(19)15-18-10-6-3-7-11-18;/h2-11,19H,12-16H2,1H3;1H
InChIKeyARWFTCCELMXLDY-UHFFFAOYSA-N
XLogP2.97
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.88
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1,4-dibenzylpiperazine-2-carboxylate;hydrochloride?
The IUPAC name of methyl 1,4-dibenzylpiperazine-2-carboxylate;hydrochloride (CID 45264773) is methyl 1,4-dibenzylpiperazine-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 1,4-dibenzylpiperazine-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 1,4-dibenzylpiperazine-2-carboxylate;hydrochloride is COC(=O)C1CN(Cc2ccccc2)CCN1Cc1ccccc1.Cl.
What is the InChIKey of methyl 1,4-dibenzylpiperazine-2-carboxylate;hydrochloride?
The InChIKey is ARWFTCCELMXLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2.ClH/c1-24-20(23)19-16-21(14-17-8-4-2-5-9-17)12-13-22(19)15-18-10-6-3-7-11-18;/h2-11,19H,12-16H2,1H3;1H.
What are the key properties of methyl 1,4-dibenzylpiperazine-2-carboxylate;hydrochloride?
methyl 1,4-dibenzylpiperazine-2-carboxylate;hydrochloride has a molecular weight of 360.88 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,4-dibenzylpiperazine-2-carboxylate;hydrochloride is sourced from PubChem (CID 45264773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).