5-amino-1-[4-(3-methylphenyl)piperazin-1-yl]hexan-1-one

C17H27N3O — CID 82846569

IUPAC5-amino-1-[4-(3-methylphenyl)piperazin-1-yl]hexan-1-one
SMILESCc1cccc(N2CCN(C(=O)CCCC(C)N)CC2)c1
InChIInChI=1S/C17H27N3O/c1-14-5-3-7-16(13-14)19-9-11-20(12-10-19)17(21)8-4-6-15(2)18/h3,5,7,13,15H,4,6,8-12,18H2,1-2H3
InChIKeyWYDUOKOHCSELOO-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.16
Rot. Bonds5

About 5-amino-1-[4-(3-methylphenyl)piperazin-1-yl]hexan-1-one

5-amino-1-[4-(3-methylphenyl)piperazin-1-yl]hexan-1-one (PubChem CID 82846569) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 5-amino-1-[4-(3-methylphenyl)piperazin-1-yl]hexan-1-one.

Molecular Properties

Compound Name5-amino-1-[4-(3-methylphenyl)piperazin-1-yl]hexan-1-one
PubChem CID82846569
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name5-amino-1-[4-(3-methylphenyl)piperazin-1-yl]hexan-1-one
SMILESCc1cccc(N2CCN(C(=O)CCCC(C)N)CC2)c1
InChIInChI=1S/C17H27N3O/c1-14-5-3-7-16(13-14)19-9-11-20(12-10-19)17(21)8-4-6-15(2)18/h3,5,7,13,15H,4,6,8-12,18H2,1-2H3
InChIKeyWYDUOKOHCSELOO-UHFFFAOYSA-N
XLogP2.16
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-5-[4-(3-methylphenyl)piperazin-1-yl]-5-oxopentanoic acid
CID 23007958
5-hydroxy-1-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-one
CID 79199880
4-amino-1-[4-(3-chlorophenyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 120564149
4-[4-(3-methylphenyl)piperazin-1-yl]-4-oxobutanoate
CID 6950012
2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119837589
2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 24697448
2-chloro-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 4741226
2-(3-methylbutylamino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 109004007
2-amino-3-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one
CID 24695341
N-(3-methylbutyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]methanesulfonamide
CID 113141146
3-[butyl(methyl)amino]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 109029274
(2S)-2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119837587

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[4-(3-methylphenyl)piperazin-1-yl]hexan-1-one?
The IUPAC name of 5-amino-1-[4-(3-methylphenyl)piperazin-1-yl]hexan-1-one (CID 82846569) is 5-amino-1-[4-(3-methylphenyl)piperazin-1-yl]hexan-1-one.
What is the SMILES notation for 5-amino-1-[4-(3-methylphenyl)piperazin-1-yl]hexan-1-one?
The canonical SMILES for 5-amino-1-[4-(3-methylphenyl)piperazin-1-yl]hexan-1-one is Cc1cccc(N2CCN(C(=O)CCCC(C)N)CC2)c1.
What is the InChIKey of 5-amino-1-[4-(3-methylphenyl)piperazin-1-yl]hexan-1-one?
The InChIKey is WYDUOKOHCSELOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14-5-3-7-16(13-14)19-9-11-20(12-10-19)17(21)8-4-6-15(2)18/h3,5,7,13,15H,4,6,8-12,18H2,1-2H3.
What are the key properties of 5-amino-1-[4-(3-methylphenyl)piperazin-1-yl]hexan-1-one?
5-amino-1-[4-(3-methylphenyl)piperazin-1-yl]hexan-1-one has a molecular weight of 289.42 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[4-(3-methylphenyl)piperazin-1-yl]hexan-1-one is sourced from PubChem (CID 82846569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).