1-(4-benzylpiperazin-1-yl)butan-1-one

C15H22N2O — CID 874457

IUPAC1-(4-benzylpiperazin-1-yl)butan-1-one
SMILESCCCC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H22N2O/c1-2-6-15(18)17-11-9-16(10-12-17)13-14-7-4-3-5-8-14/h3-5,7-8H,2,6,9-13H2,1H3
InChIKeyDQXACBJQQWXRHG-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.13
Rot. Bonds4

About 1-(4-benzylpiperazin-1-yl)butan-1-one

1-(4-benzylpiperazin-1-yl)butan-1-one (PubChem CID 874457) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)butan-1-one.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)butan-1-one
PubChem CID874457
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-(4-benzylpiperazin-1-yl)butan-1-one
SMILESCCCC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H22N2O/c1-2-6-15(18)17-11-9-16(10-12-17)13-14-7-4-3-5-8-14/h3-5,7-8H,2,6,9-13H2,1H3
InChIKeyDQXACBJQQWXRHG-UHFFFAOYSA-N
XLogP2.13
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-benzylpiperazin-1-yl)-3-(propylamino)propan-1-one
CID 109011519
1-(4-benzylpiperazin-1-yl)-3-[butyl(methyl)amino]propan-1-one
CID 109026864
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]propanamide
CID 110287317
1-(4-benzylpiperazin-1-yl)-5-methylhexan-1-one
CID 143244837
1-(4-benzylpiperazin-1-yl)-2-chloroethanone;hydrochloride
CID 16806065
1-(4-benzylpiperazin-1-yl)-3-nitropropan-1-one
CID 56666107
1-(4-benzylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one
CID 46343141
ethyl N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]carbamate
CID 110287347
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one
CID 60601295
1-(4-benzylpiperazin-1-yl)-3-(2-ethylanilino)propan-1-one
CID 109026883
1-(4-benzylpiperazin-1-yl)-3-(2,6-dichlorophenyl)propan-1-one
CID 100600205

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)butan-1-one?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)butan-1-one (CID 874457) is 1-(4-benzylpiperazin-1-yl)butan-1-one.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)butan-1-one?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)butan-1-one is CCCC(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)butan-1-one?
The InChIKey is DQXACBJQQWXRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-6-15(18)17-11-9-16(10-12-17)13-14-7-4-3-5-8-14/h3-5,7-8H,2,6,9-13H2,1H3.
What are the key properties of 1-(4-benzylpiperazin-1-yl)butan-1-one?
1-(4-benzylpiperazin-1-yl)butan-1-one has a molecular weight of 246.35 g/mol, XLogP of 2.13, 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)butan-1-one is sourced from PubChem (CID 874457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).