1-(3-benzylpiperazin-1-yl)butan-1-one

C15H22N2O — CID 82244330

IUPAC1-(3-benzylpiperazin-1-yl)butan-1-one
SMILESCCCC(=O)N1CCNC(Cc2ccccc2)C1
InChIInChI=1S/C15H22N2O/c1-2-6-15(18)17-10-9-16-14(12-17)11-13-7-4-3-5-8-13/h3-5,7-8,14,16H,2,6,9-12H2,1H3
InChIKeySCEBSBAEMSGLMC-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.83
Rot. Bonds4

About 1-(3-benzylpiperazin-1-yl)butan-1-one

1-(3-benzylpiperazin-1-yl)butan-1-one (PubChem CID 82244330) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(3-benzylpiperazin-1-yl)butan-1-one.

Molecular Properties

Compound Name1-(3-benzylpiperazin-1-yl)butan-1-one
PubChem CID82244330
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-(3-benzylpiperazin-1-yl)butan-1-one
SMILESCCCC(=O)N1CCNC(Cc2ccccc2)C1
InChIInChI=1S/C15H22N2O/c1-2-6-15(18)17-10-9-16-14(12-17)11-13-7-4-3-5-8-13/h3-5,7-8,14,16H,2,6,9-12H2,1H3
InChIKeySCEBSBAEMSGLMC-UHFFFAOYSA-N
XLogP1.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-benzylpiperazin-1-yl)butane-1,3-dione
CID 110477448
1-[(3R)-3-benzylpiperazin-1-yl]ethanone
CID 94985339
1-(3-benzylpiperazin-1-yl)-2-(dimethylamino)ethanone
CID 82246230
1-(3-benzylpiperazin-1-yl)ethanone;hydrochloride
CID 75366058
2-amino-1-(3-benzylpiperazin-1-yl)propan-1-one
CID 110478917
2-methylpropyl 3-benzylpiperazine-1-carboxylate
CID 82248433
benzyl 3-benzylpiperazine-1-carboxylate;hydrochloride
CID 75088473
1-(3-methylpiperazin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119260845
3-benzyl-1-octylpiperazine
CID 64833102
1-[(3S)-3-methylpiperazin-1-yl]butan-1-one
CID 11355735
methyl 2-[(3R)-3-benzylpiperazin-1-yl]benzoate
CID 45072865
methyl 2-[(3S)-3-benzylpiperazin-1-yl]benzoate
CID 45072871

Frequently Asked Questions

What is the IUPAC name of 1-(3-benzylpiperazin-1-yl)butan-1-one?
The IUPAC name of 1-(3-benzylpiperazin-1-yl)butan-1-one (CID 82244330) is 1-(3-benzylpiperazin-1-yl)butan-1-one.
What is the SMILES notation for 1-(3-benzylpiperazin-1-yl)butan-1-one?
The canonical SMILES for 1-(3-benzylpiperazin-1-yl)butan-1-one is CCCC(=O)N1CCNC(Cc2ccccc2)C1.
What is the InChIKey of 1-(3-benzylpiperazin-1-yl)butan-1-one?
The InChIKey is SCEBSBAEMSGLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-6-15(18)17-10-9-16-14(12-17)11-13-7-4-3-5-8-13/h3-5,7-8,14,16H,2,6,9-12H2,1H3.
What are the key properties of 1-(3-benzylpiperazin-1-yl)butan-1-one?
1-(3-benzylpiperazin-1-yl)butan-1-one has a molecular weight of 246.35 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzylpiperazin-1-yl)butan-1-one is sourced from PubChem (CID 82244330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).