6-methyl-1-(4-methylpiperazin-1-yl)heptan-4-one

C13H26N2O — CID 159995682

IUPAC6-methyl-1-(4-methylpiperazin-1-yl)heptan-4-one
SMILESCC(C)CC(=O)CCCN1CCN(C)CC1
InChIInChI=1S/C13H26N2O/c1-12(2)11-13(16)5-4-6-15-9-7-14(3)8-10-15/h12H,4-11H2,1-3H3
InChIKeyDZOPUCWGFOCQFX-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.63
Rot. Bonds6

About 6-methyl-1-(4-methylpiperazin-1-yl)heptan-4-one

6-methyl-1-(4-methylpiperazin-1-yl)heptan-4-one (PubChem CID 159995682) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 6-methyl-1-(4-methylpiperazin-1-yl)heptan-4-one.

Molecular Properties

Compound Name6-methyl-1-(4-methylpiperazin-1-yl)heptan-4-one
PubChem CID159995682
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name6-methyl-1-(4-methylpiperazin-1-yl)heptan-4-one
SMILESCC(C)CC(=O)CCCN1CCN(C)CC1
InChIInChI=1S/C13H26N2O/c1-12(2)11-13(16)5-4-6-15-9-7-14(3)8-10-15/h12H,4-11H2,1-3H3
InChIKeyDZOPUCWGFOCQFX-UHFFFAOYSA-N
XLogP1.63
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-8-[4-(3-methylbutanoyl)piperazin-1-yl]octan-4-one
CID 159943542
6-[4-(2-methylpropyl)piperazin-1-yl]hexan-3-one
CID 106801418
ethane;methyl 4-(4-methylpiperazin-1-yl)butanoate
CID 171562662
N-methylidene-4-(4-methylpiperazin-1-yl)butanamide
CID 138481646
4-(4-methyl-1,4-diazepan-1-yl)butanamide
CID 175411586
3-methyl-1-[4-(3-sulfanylpropyl)piperazin-1-yl]butan-1-one
CID 115267934
1-(4-propan-2-ylpiperazin-1-yl)heptan-4-one
CID 157204487
7-(4-methylpiperazin-1-yl)heptanoyl chloride;hydrochloride
CID 87608449
ethane;3-methyl-1-[4-[(4-methylpiperazin-1-yl)methyl]piperazin-1-yl]butan-1-one
CID 178000239
7-(4-methylpiperazin-1-yl)heptane-1-thiol
CID 144712055
10-(4-methylpiperazin-1-yl)decan-1-ol;12-(4-methylpiperazin-1-yl)dodecan-1-ol
CID 22218533
1-[4-(4-aminobutyl)piperazin-1-yl]-3-methylbutan-1-one
CID 43251848

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(4-methylpiperazin-1-yl)heptan-4-one?
The IUPAC name of 6-methyl-1-(4-methylpiperazin-1-yl)heptan-4-one (CID 159995682) is 6-methyl-1-(4-methylpiperazin-1-yl)heptan-4-one.
What is the SMILES notation for 6-methyl-1-(4-methylpiperazin-1-yl)heptan-4-one?
The canonical SMILES for 6-methyl-1-(4-methylpiperazin-1-yl)heptan-4-one is CC(C)CC(=O)CCCN1CCN(C)CC1.
What is the InChIKey of 6-methyl-1-(4-methylpiperazin-1-yl)heptan-4-one?
The InChIKey is DZOPUCWGFOCQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-12(2)11-13(16)5-4-6-15-9-7-14(3)8-10-15/h12H,4-11H2,1-3H3.
What are the key properties of 6-methyl-1-(4-methylpiperazin-1-yl)heptan-4-one?
6-methyl-1-(4-methylpiperazin-1-yl)heptan-4-one has a molecular weight of 226.36 g/mol, XLogP of 1.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(4-methylpiperazin-1-yl)heptan-4-one is sourced from PubChem (CID 159995682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).