2-phenyl-1-piperazin-1-ylpropan-1-one

C13H18N2O — CID 52983882

IUPAC2-phenyl-1-piperazin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCNCC1)c1ccccc1
InChIInChI=1S/C13H18N2O/c1-11(12-5-3-2-4-6-12)13(16)15-9-7-14-8-10-15/h2-6,11,14H,7-10H2,1H3
InChIKeyZWEYWDWMIFZUJI-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.22
Rot. Bonds2

About 2-phenyl-1-piperazin-1-ylpropan-1-one

2-phenyl-1-piperazin-1-ylpropan-1-one (PubChem CID 52983882) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-phenyl-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-phenyl-1-piperazin-1-ylpropan-1-one
PubChem CID52983882
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-phenyl-1-piperazin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCNCC1)c1ccccc1
InChIInChI=1S/C13H18N2O/c1-11(12-5-3-2-4-6-12)13(16)15-9-7-14-8-10-15/h2-6,11,14H,7-10H2,1H3
InChIKeyZWEYWDWMIFZUJI-UHFFFAOYSA-N
XLogP1.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-phenyl-1-[4-[(2R)-2-phenylpropanoyl]piperazin-1-yl]propan-1-one
CID 94855656
3-methyl-2-phenyl-1-piperazin-1-ylbutan-1-one
CID 82086271
4-(2-phenylpropanoyl)piperazine-1-carboxylic acid
CID 123978290
2-(3-chlorophenyl)-1-piperazin-1-ylpropan-1-one
CID 82511839
2-(N-phenylanilino)-1-piperazin-1-ylpropan-1-one
CID 10470597
2-(4-methoxyphenyl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119402873
2-hydrazinyl-2-phenyl-1-piperazin-1-ylethanone
CID 82510408
1-piperazin-1-yl-2-pyrimidin-5-ylpropan-1-one
CID 82509276
N-(1-phenylethyl)piperazine-1-carboxamide
CID 22011928
2,3-diphenyl-1-piperazin-1-ylpropan-1-one
CID 57105688
N-[(1S)-1-phenylethyl]-1,4,7,10-tetrazacyclododecane-1-carboxamide
CID 102420042
3-phenyl-1-piperazin-1-ylbutan-1-one;hydrochloride
CID 119401565

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 2-phenyl-1-piperazin-1-ylpropan-1-one (CID 52983882) is 2-phenyl-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 2-phenyl-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 2-phenyl-1-piperazin-1-ylpropan-1-one is CC(C(=O)N1CCNCC1)c1ccccc1.
What is the InChIKey of 2-phenyl-1-piperazin-1-ylpropan-1-one?
The InChIKey is ZWEYWDWMIFZUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-11(12-5-3-2-4-6-12)13(16)15-9-7-14-8-10-15/h2-6,11,14H,7-10H2,1H3.
What are the key properties of 2-phenyl-1-piperazin-1-ylpropan-1-one?
2-phenyl-1-piperazin-1-ylpropan-1-one has a molecular weight of 218.30 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 52983882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).