phenyl(piperazin-1-yl)methanone

C11H14N2O — CID 762654

IUPACphenyl(piperazin-1-yl)methanone
SMILESO=C(c1ccccc1)N1CCNCC1
InChIInChI=1S/C11H14N2O/c14-11(10-4-2-1-3-5-10)13-8-6-12-7-9-13/h1-5,12H,6-9H2
InChIKeyVUNXBQRNMNVUMV-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.73
Rot. Bonds1

About phenyl(piperazin-1-yl)methanone

phenyl(piperazin-1-yl)methanone (PubChem CID 762654) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is phenyl(piperazin-1-yl)methanone.

Molecular Properties

Compound Namephenyl(piperazin-1-yl)methanone
PubChem CID762654
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Namephenyl(piperazin-1-yl)methanone
SMILESO=C(c1ccccc1)N1CCNCC1
InChIInChI=1S/C11H14N2O/c14-11(10-4-2-1-3-5-10)13-8-6-12-7-9-13/h1-5,12H,6-9H2
InChIKeyVUNXBQRNMNVUMV-UHFFFAOYSA-N
XLogP0.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenyl(piperazin-1-yl)methanone?
The IUPAC name of phenyl(piperazin-1-yl)methanone (CID 762654) is phenyl(piperazin-1-yl)methanone.
What is the SMILES notation for phenyl(piperazin-1-yl)methanone?
The canonical SMILES for phenyl(piperazin-1-yl)methanone is O=C(c1ccccc1)N1CCNCC1.
What is the InChIKey of phenyl(piperazin-1-yl)methanone?
The InChIKey is VUNXBQRNMNVUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c14-11(10-4-2-1-3-5-10)13-8-6-12-7-9-13/h1-5,12H,6-9H2.
What are the key properties of phenyl(piperazin-1-yl)methanone?
phenyl(piperazin-1-yl)methanone has a molecular weight of 190.25 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(piperazin-1-yl)methanone is sourced from PubChem (CID 762654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).