1-(3-piperazin-1-ylphenyl)propan-2-one

C13H18N2O — CID 123427717

IUPAC1-(3-piperazin-1-ylphenyl)propan-2-one
SMILESCC(=O)Cc1cccc(N2CCNCC2)c1
InChIInChI=1S/C13H18N2O/c1-11(16)9-12-3-2-4-13(10-12)15-7-5-14-6-8-15/h2-4,10,14H,5-9H2,1H3
InChIKeyLFIKVRPKDWRENB-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.23
Rot. Bonds3

About 1-(3-piperazin-1-ylphenyl)propan-2-one

1-(3-piperazin-1-ylphenyl)propan-2-one (PubChem CID 123427717) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(3-piperazin-1-ylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(3-piperazin-1-ylphenyl)propan-2-one
PubChem CID123427717
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(3-piperazin-1-ylphenyl)propan-2-one
SMILESCC(=O)Cc1cccc(N2CCNCC2)c1
InChIInChI=1S/C13H18N2O/c1-11(16)9-12-3-2-4-13(10-12)15-7-5-14-6-8-15/h2-4,10,14H,5-9H2,1H3
InChIKeyLFIKVRPKDWRENB-UHFFFAOYSA-N
XLogP1.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethylphenyl)piperazine;hydrochloride
CID 19911472
methyl 2-amino-3-(3-piperazin-1-ylphenyl)propanoate
CID 170883739
(3-piperazin-1-ylphenyl)methanamine
CID 83775094
2-[3-(azepan-1-yl)phenyl]acetic acid
CID 79695336
1-methyl-4-[3-(2-oxopropyl)phenyl]piperazine-2,5-dione
CID 117404685
1-methyl-4-[3-(2-oxopropyl)phenyl]piperazine-2,3-dione
CID 117404686
N,N-dimethyl-3-piperazin-1-ylbenzamide;dihydrochloride
CID 138393542
1-(3-bromophenyl)propan-2-one;hydroperoxyethane;1-[3-(2-oxopropyl)phenyl]piperidin-4-one;8-[3-(2-oxopropyl)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;piperidin-4-one
CID 157247318
propyl 3-piperazin-1-ylbenzoate
CID 175170803
3-methyl-N-[(3-piperazin-1-ylphenyl)methyl]cyclohexane-1-carboxamide
CID 164904730
1-(3-ethoxyphenyl)piperazine
CID 14519634
(3S)-1-benzyl-3-[(1S,2R)-1-hydroxy-4-oxo-2-[(3-piperazin-1-ylphenyl)methyl]pentyl]piperidin-2-one
CID 58096234

Frequently Asked Questions

What is the IUPAC name of 1-(3-piperazin-1-ylphenyl)propan-2-one?
The IUPAC name of 1-(3-piperazin-1-ylphenyl)propan-2-one (CID 123427717) is 1-(3-piperazin-1-ylphenyl)propan-2-one.
What is the SMILES notation for 1-(3-piperazin-1-ylphenyl)propan-2-one?
The canonical SMILES for 1-(3-piperazin-1-ylphenyl)propan-2-one is CC(=O)Cc1cccc(N2CCNCC2)c1.
What is the InChIKey of 1-(3-piperazin-1-ylphenyl)propan-2-one?
The InChIKey is LFIKVRPKDWRENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-11(16)9-12-3-2-4-13(10-12)15-7-5-14-6-8-15/h2-4,10,14H,5-9H2,1H3.
What are the key properties of 1-(3-piperazin-1-ylphenyl)propan-2-one?
1-(3-piperazin-1-ylphenyl)propan-2-one has a molecular weight of 218.30 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-piperazin-1-ylphenyl)propan-2-one is sourced from PubChem (CID 123427717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).