5-methyl-1-[4-(4-methylpentyl)piperazin-1-yl]hexan-1-one

C17H34N2O — CID 171725805

IUPAC5-methyl-1-[4-(4-methylpentyl)piperazin-1-yl]hexan-1-one
SMILESCC(C)CCCC(=O)N1CCN(CCCC(C)C)CC1
InChIInChI=1S/C17H34N2O/c1-15(2)7-5-9-17(20)19-13-11-18(12-14-19)10-6-8-16(3)4/h15-16H,5-14H2,1-4H3
InChIKeyPPRJZXIDQWHFJL-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.39
Rot. Bonds8

About 5-methyl-1-[4-(4-methylpentyl)piperazin-1-yl]hexan-1-one

5-methyl-1-[4-(4-methylpentyl)piperazin-1-yl]hexan-1-one (PubChem CID 171725805) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 5-methyl-1-[4-(4-methylpentyl)piperazin-1-yl]hexan-1-one.

Molecular Properties

Compound Name5-methyl-1-[4-(4-methylpentyl)piperazin-1-yl]hexan-1-one
PubChem CID171725805
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name5-methyl-1-[4-(4-methylpentyl)piperazin-1-yl]hexan-1-one
SMILESCC(C)CCCC(=O)N1CCN(CCCC(C)C)CC1
InChIInChI=1S/C17H34N2O/c1-15(2)7-5-9-17(20)19-13-11-18(12-14-19)10-6-8-16(3)4/h15-16H,5-14H2,1-4H3
InChIKeyPPRJZXIDQWHFJL-UHFFFAOYSA-N
XLogP3.39
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(4-methylpentyl)piperazin-1-yl]-3-oxopropanal
CID 168749205
ethane;1-[4-(5-methylhexyl)piperazin-1-yl]ethanone
CID 169214701
3-amino-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one
CID 60963917
1-[4-(4-aminobutyl)-1,4-diazepan-1-yl]-4-methylpentan-1-one
CID 43251875
1-(4-benzylpiperazin-1-yl)-5-methylhexan-1-one
CID 143244837
2-chloro-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 60808366
15-methyl-1-piperidin-1-ylhexadecan-1-one
CID 57076776
1-hydroxy-4-(4-methylpentyl)piperazine
CID 59781141
2-methyl-8-[4-(3-methylbutanoyl)piperazin-1-yl]octan-4-one
CID 159943542
1-(3,4-dihydroxypyrrolidin-1-yl)-5-methylhexan-1-one
CID 130410946
1-[4-(2-methylpropyl)piperazin-1-yl]pentan-1-one
CID 113072856
5,9,13,17-tetramethyl-1-[4-(3-methylbutyl)piperazin-1-yl]octadeca-4,8,12,16-tetraen-1-one
CID 70472954

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[4-(4-methylpentyl)piperazin-1-yl]hexan-1-one?
The IUPAC name of 5-methyl-1-[4-(4-methylpentyl)piperazin-1-yl]hexan-1-one (CID 171725805) is 5-methyl-1-[4-(4-methylpentyl)piperazin-1-yl]hexan-1-one.
What is the SMILES notation for 5-methyl-1-[4-(4-methylpentyl)piperazin-1-yl]hexan-1-one?
The canonical SMILES for 5-methyl-1-[4-(4-methylpentyl)piperazin-1-yl]hexan-1-one is CC(C)CCCC(=O)N1CCN(CCCC(C)C)CC1.
What is the InChIKey of 5-methyl-1-[4-(4-methylpentyl)piperazin-1-yl]hexan-1-one?
The InChIKey is PPRJZXIDQWHFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-15(2)7-5-9-17(20)19-13-11-18(12-14-19)10-6-8-16(3)4/h15-16H,5-14H2,1-4H3.
What are the key properties of 5-methyl-1-[4-(4-methylpentyl)piperazin-1-yl]hexan-1-one?
5-methyl-1-[4-(4-methylpentyl)piperazin-1-yl]hexan-1-one has a molecular weight of 282.47 g/mol, XLogP of 3.39, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[4-(4-methylpentyl)piperazin-1-yl]hexan-1-one is sourced from PubChem (CID 171725805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).