1,2-dibenzylpiperazine-2-carboxylic acid

C19H22N2O2 — CID 174963480

IUPAC1,2-dibenzylpiperazine-2-carboxylic acid
SMILESO=C(O)C1(Cc2ccccc2)CNCCN1Cc1ccccc1
InChIInChI=1S/C19H22N2O2/c22-18(23)19(13-16-7-3-1-4-8-16)15-20-11-12-21(19)14-17-9-5-2-6-10-17/h1-10,20H,11-15H2,(H,22,23)
InChIKeyZIFCWKUHDBBKOP-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.16
Rot. Bonds5

About 1,2-dibenzylpiperazine-2-carboxylic acid

1,2-dibenzylpiperazine-2-carboxylic acid (PubChem CID 174963480) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1,2-dibenzylpiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1,2-dibenzylpiperazine-2-carboxylic acid
PubChem CID174963480
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1,2-dibenzylpiperazine-2-carboxylic acid
SMILESO=C(O)C1(Cc2ccccc2)CNCCN1Cc1ccccc1
InChIInChI=1S/C19H22N2O2/c22-18(23)19(13-16-7-3-1-4-8-16)15-20-11-12-21(19)14-17-9-5-2-6-10-17/h1-10,20H,11-15H2,(H,22,23)
InChIKeyZIFCWKUHDBBKOP-UHFFFAOYSA-N
XLogP2.16
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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[(2S)-1-benzyl-2-(difluoromethyl)piperazin-2-yl] 2,2,2-trifluoroacetate
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tert-butyl 5-benzyl-2,5,8-triazaspiro[3.5]nonane-2-carboxylate
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2-benzyl-1-methylpiperidine-2-carboxylic acid
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6-benzyl-2-methyl-2,6,9-triazaspiro[4.5]decan-1-one
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3-(2-phenylethyl)pyrrolidine-3-carboxylic acid
CID 79426364
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Frequently Asked Questions

What is the IUPAC name of 1,2-dibenzylpiperazine-2-carboxylic acid?
The IUPAC name of 1,2-dibenzylpiperazine-2-carboxylic acid (CID 174963480) is 1,2-dibenzylpiperazine-2-carboxylic acid.
What is the SMILES notation for 1,2-dibenzylpiperazine-2-carboxylic acid?
The canonical SMILES for 1,2-dibenzylpiperazine-2-carboxylic acid is O=C(O)C1(Cc2ccccc2)CNCCN1Cc1ccccc1.
What is the InChIKey of 1,2-dibenzylpiperazine-2-carboxylic acid?
The InChIKey is ZIFCWKUHDBBKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c22-18(23)19(13-16-7-3-1-4-8-16)15-20-11-12-21(19)14-17-9-5-2-6-10-17/h1-10,20H,11-15H2,(H,22,23).
What are the key properties of 1,2-dibenzylpiperazine-2-carboxylic acid?
1,2-dibenzylpiperazine-2-carboxylic acid has a molecular weight of 310.40 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibenzylpiperazine-2-carboxylic acid is sourced from PubChem (CID 174963480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).