2-piperazin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxylic acid

C15H20N2O2 — CID 54895169

IUPAC2-piperazin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESO=C(O)C1(N2CCNCC2)CCc2ccccc2C1
InChIInChI=1S/C15H20N2O2/c18-14(19)15(17-9-7-16-8-10-17)6-5-12-3-1-2-4-13(12)11-15/h1-4,16H,5-11H2,(H,18,19)
InChIKeyXIISLAMLGBNTMF-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.90
Rot. Bonds2

About 2-piperazin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxylic acid

2-piperazin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxylic acid (PubChem CID 54895169) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-piperazin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name2-piperazin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxylic acid
PubChem CID54895169
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-piperazin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESO=C(O)C1(N2CCNCC2)CCc2ccccc2C1
InChIInChI=1S/C15H20N2O2/c18-14(19)15(17-9-7-16-8-10-17)6-5-12-3-1-2-4-13(12)11-15/h1-4,16H,5-11H2,(H,18,19)
InChIKeyXIISLAMLGBNTMF-UHFFFAOYSA-N
XLogP0.90
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The IUPAC name of 2-piperazin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxylic acid (CID 54895169) is 2-piperazin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxylic acid.
What is the SMILES notation for 2-piperazin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The canonical SMILES for 2-piperazin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxylic acid is O=C(O)C1(N2CCNCC2)CCc2ccccc2C1.
What is the InChIKey of 2-piperazin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The InChIKey is XIISLAMLGBNTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-14(19)15(17-9-7-16-8-10-17)6-5-12-3-1-2-4-13(12)11-15/h1-4,16H,5-11H2,(H,18,19).
What are the key properties of 2-piperazin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
2-piperazin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxylic acid has a molecular weight of 260.34 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxylic acid is sourced from PubChem (CID 54895169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).