1-(4-benzylpiperazin-1-yl)-5-methylhexan-1-one

C18H28N2O — CID 143244837

IUPAC1-(4-benzylpiperazin-1-yl)-5-methylhexan-1-one
SMILESCC(C)CCCC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H28N2O/c1-16(2)7-6-10-18(21)20-13-11-19(12-14-20)15-17-8-4-3-5-9-17/h3-5,8-9,16H,6-7,10-15H2,1-2H3
InChIKeySQZKSBLFBPWPIF-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.16
Rot. Bonds6

About 1-(4-benzylpiperazin-1-yl)-5-methylhexan-1-one

1-(4-benzylpiperazin-1-yl)-5-methylhexan-1-one (PubChem CID 143244837) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-5-methylhexan-1-one.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-5-methylhexan-1-one
PubChem CID143244837
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-(4-benzylpiperazin-1-yl)-5-methylhexan-1-one
SMILESCC(C)CCCC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H28N2O/c1-16(2)7-6-10-18(21)20-13-11-19(12-14-20)15-17-8-4-3-5-9-17/h3-5,8-9,16H,6-7,10-15H2,1-2H3
InChIKeySQZKSBLFBPWPIF-UHFFFAOYSA-N
XLogP3.16
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-benzylpiperazin-1-yl)butan-1-one
CID 874457
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CID 113148481
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
4-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]pentanamide
CID 120565252
5-methyl-1-[4-(4-methylpentyl)piperazin-1-yl]hexan-1-one
CID 171725805
1-(4-benzylpiperazin-1-yl)-2-(butan-2-ylamino)ethanone
CID 60684325
1-(4-benzylpiperazin-1-yl)-3-[butyl(methyl)amino]propan-1-one
CID 109026864
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
1-(4-benzylpiperazin-1-yl)-3-(propylamino)propan-1-one
CID 109011519
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CID 78774501

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-5-methylhexan-1-one?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-5-methylhexan-1-one (CID 143244837) is 1-(4-benzylpiperazin-1-yl)-5-methylhexan-1-one.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-5-methylhexan-1-one?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-5-methylhexan-1-one is CC(C)CCCC(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-5-methylhexan-1-one?
The InChIKey is SQZKSBLFBPWPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-16(2)7-6-10-18(21)20-13-11-19(12-14-20)15-17-8-4-3-5-9-17/h3-5,8-9,16H,6-7,10-15H2,1-2H3.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-5-methylhexan-1-one?
1-(4-benzylpiperazin-1-yl)-5-methylhexan-1-one has a molecular weight of 288.44 g/mol, XLogP of 3.16, 6 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)-5-methylhexan-1-one is sourced from PubChem (CID 143244837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).