6-[4-(2-methylpropyl)piperazin-1-yl]hexan-3-one

C14H28N2O — CID 106801418

IUPAC6-[4-(2-methylpropyl)piperazin-1-yl]hexan-3-one
SMILESCCC(=O)CCCN1CCN(CC(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-4-14(17)6-5-7-15-8-10-16(11-9-15)12-13(2)3/h13H,4-12H2,1-3H3
InChIKeyFNUZHCSAYPYXSY-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.02
Rot. Bonds7

About 6-[4-(2-methylpropyl)piperazin-1-yl]hexan-3-one

6-[4-(2-methylpropyl)piperazin-1-yl]hexan-3-one (PubChem CID 106801418) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 6-[4-(2-methylpropyl)piperazin-1-yl]hexan-3-one.

Molecular Properties

Compound Name6-[4-(2-methylpropyl)piperazin-1-yl]hexan-3-one
PubChem CID106801418
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name6-[4-(2-methylpropyl)piperazin-1-yl]hexan-3-one
SMILESCCC(=O)CCCN1CCN(CC(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-4-14(17)6-5-7-15-8-10-16(11-9-15)12-13(2)3/h13H,4-12H2,1-3H3
InChIKeyFNUZHCSAYPYXSY-UHFFFAOYSA-N
XLogP2.02
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(2-methylpropyl)piperazin-1-yl]butanehydrazide
CID 63571513
6-piperidin-1-ylhexan-3-one;hydrochloride
CID 175565932
4-[4-(2-methylpropyl)piperazin-1-yl]butan-1-ol
CID 62777800
6-methyl-1-(4-methylpiperazin-1-yl)heptan-4-one
CID 159995682
N'-hydroxy-5-[4-(2-methylpropyl)piperazin-1-yl]pentanimidamide
CID 76949002
1-(4-methylpentyl)-4-(2-methylpropyl)piperazine
CID 21131473
6-(1,4-oxazepan-4-yl)hexan-3-one
CID 106801426
1-(4-propan-2-ylpiperazin-1-yl)heptan-4-one
CID 157204487
ethane;7-[4-[2-(methylamino)acetyl]piperazin-1-yl]heptan-3-one
CID 169190267
1-[4-(2-methylpropyl)piperazin-1-yl]pentan-1-one
CID 113072856
N-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine
CID 62775254
6-(3-aminopyrrolidin-1-yl)hexan-3-one
CID 106801405

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-methylpropyl)piperazin-1-yl]hexan-3-one?
The IUPAC name of 6-[4-(2-methylpropyl)piperazin-1-yl]hexan-3-one (CID 106801418) is 6-[4-(2-methylpropyl)piperazin-1-yl]hexan-3-one.
What is the SMILES notation for 6-[4-(2-methylpropyl)piperazin-1-yl]hexan-3-one?
The canonical SMILES for 6-[4-(2-methylpropyl)piperazin-1-yl]hexan-3-one is CCC(=O)CCCN1CCN(CC(C)C)CC1.
What is the InChIKey of 6-[4-(2-methylpropyl)piperazin-1-yl]hexan-3-one?
The InChIKey is FNUZHCSAYPYXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-14(17)6-5-7-15-8-10-16(11-9-15)12-13(2)3/h13H,4-12H2,1-3H3.
What are the key properties of 6-[4-(2-methylpropyl)piperazin-1-yl]hexan-3-one?
6-[4-(2-methylpropyl)piperazin-1-yl]hexan-3-one has a molecular weight of 240.39 g/mol, XLogP of 2.02, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-methylpropyl)piperazin-1-yl]hexan-3-one is sourced from PubChem (CID 106801418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).