1-(4-benzylpiperazin-1-yl)-2-phenylpropan-1-one

C20H24N2O — CID 71304914

IUPAC1-(4-benzylpiperazin-1-yl)-2-phenylpropan-1-one
SMILESCC(C(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C20H24N2O/c1-17(19-10-6-3-7-11-19)20(23)22-14-12-21(13-15-22)16-18-8-4-2-5-9-18/h2-11,17H,12-16H2,1H3
InChIKeyHKYLXLMCKULWRF-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.13
Rot. Bonds4

About 1-(4-benzylpiperazin-1-yl)-2-phenylpropan-1-one

1-(4-benzylpiperazin-1-yl)-2-phenylpropan-1-one (PubChem CID 71304914) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-2-phenylpropan-1-one.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-2-phenylpropan-1-one
PubChem CID71304914
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name1-(4-benzylpiperazin-1-yl)-2-phenylpropan-1-one
SMILESCC(C(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C20H24N2O/c1-17(19-10-6-3-7-11-19)20(23)22-14-12-21(13-15-22)16-18-8-4-2-5-9-18/h2-11,17H,12-16H2,1H3
InChIKeyHKYLXLMCKULWRF-UHFFFAOYSA-N
XLogP3.13
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.13
H-Bond Donors ≤ 50
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
[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2,2-diphenylacetate
CID 4833570
(2S)-2-amino-1-(4-benzylpiperazin-1-yl)-2-phenylethanone;dihydrochloride
CID 171689425
4-(2-phenylpropanoyl)piperazine-1-carboxylic acid
CID 123978290
1-(4-benzylpiperazin-1-yl)-2-ethylbutan-1-one
CID 1092017
3-amino-1-(4-benzylpiperazin-1-yl)-2-methylbutan-1-one;dihydrochloride
CID 120502407
1-(4-benzylpiperazin-1-yl)-2-cyclopropyl-2-phenylethanone
CID 110411985
1-(4-benzylpiperazin-1-yl)-2-methylpropan-1-one;methane;2-methyl-1-piperidin-1-ylpropan-1-one
CID 161283045
2-amino-1-(4-benzylpiperazin-1-yl)-3-methylpentan-1-one
CID 24704627
[1-(4-benzylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamic acid
CID 22016527
N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide
CID 110285473
(2R)-2-amino-1-(4-benzyl-1,4-diazepan-1-yl)propan-1-one;dihydrochloride
CID 119399410

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-phenylpropan-1-one?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-phenylpropan-1-one (CID 71304914) is 1-(4-benzylpiperazin-1-yl)-2-phenylpropan-1-one.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-2-phenylpropan-1-one?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-2-phenylpropan-1-one is CC(C(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-2-phenylpropan-1-one?
The InChIKey is HKYLXLMCKULWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-17(19-10-6-3-7-11-19)20(23)22-14-12-21(13-15-22)16-18-8-4-2-5-9-18/h2-11,17H,12-16H2,1H3.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-2-phenylpropan-1-one?
1-(4-benzylpiperazin-1-yl)-2-phenylpropan-1-one has a molecular weight of 308.43 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-2-phenylpropan-1-one is sourced from PubChem (CID 71304914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).