2-(3-chlorophenyl)-1-piperazin-1-ylpropan-1-one

C13H17ClN2O — CID 82511839

IUPAC2-(3-chlorophenyl)-1-piperazin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCNCC1)c1cccc(Cl)c1
InChIInChI=1S/C13H17ClN2O/c1-10(11-3-2-4-12(14)9-11)13(17)16-7-5-15-6-8-16/h2-4,9-10,15H,5-8H2,1H3
InChIKeyWVRGRKDHYWCJOJ-UHFFFAOYSA-N
MW252.75 g/mol
LogP1.88
Rot. Bonds2

About 2-(3-chlorophenyl)-1-piperazin-1-ylpropan-1-one

2-(3-chlorophenyl)-1-piperazin-1-ylpropan-1-one (PubChem CID 82511839) has the molecular formula C13H17ClN2O and a molecular weight of 252.75 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-piperazin-1-ylpropan-1-one
PubChem CID82511839
Molecular FormulaC13H17ClN2O
Molecular Weight252.75 g/mol
Exact Mass252.10
IUPAC Name2-(3-chlorophenyl)-1-piperazin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCNCC1)c1cccc(Cl)c1
InChIInChI=1S/C13H17ClN2O/c1-10(11-3-2-4-12(14)9-11)13(17)16-7-5-15-6-8-16/h2-4,9-10,15H,5-8H2,1H3
InChIKeyWVRGRKDHYWCJOJ-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-3-methyl-1-piperazin-1-ylbutan-1-one
CID 119401955
2-phenyl-1-piperazin-1-ylpropan-1-one
CID 52983882
1-[(2R)-2-(3-chlorophenyl)propanoyl]piperidine-4-carboxylic acid
CID 125134350
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-chlorophenyl)propan-1-one
CID 119520449
2-(3-chlorophenyl)-1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one;hydrochloride
CID 119638893
2-(3-chlorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119473180
2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)-1-piperazin-1-ylethanone
CID 91204468
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide
CID 81370303
[1-[(2S)-2-(3-chlorophenyl)propanoyl]piperidin-4-yl]methanesulfonamide
CID 96510197
2-(3-chlorophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119624978
1-[2-(3-chlorophenyl)propanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122118112
(2R)-2-(3-chlorophenyl)-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]propan-1-one
CID 96510176

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 2-(3-chlorophenyl)-1-piperazin-1-ylpropan-1-one (CID 82511839) is 2-(3-chlorophenyl)-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 2-(3-chlorophenyl)-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 2-(3-chlorophenyl)-1-piperazin-1-ylpropan-1-one is CC(C(=O)N1CCNCC1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1-piperazin-1-ylpropan-1-one?
The InChIKey is WVRGRKDHYWCJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-10(11-3-2-4-12(14)9-11)13(17)16-7-5-15-6-8-16/h2-4,9-10,15H,5-8H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-1-piperazin-1-ylpropan-1-one?
2-(3-chlorophenyl)-1-piperazin-1-ylpropan-1-one has a molecular weight of 252.75 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 82511839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).