7,7-dimethyl-1-(4-methylpiperazin-1-yl)octan-1-one

C15H30N2O — CID 138647099

IUPAC7,7-dimethyl-1-(4-methylpiperazin-1-yl)octan-1-one
SMILESCN1CCN(C(=O)CCCCCC(C)(C)C)CC1
InChIInChI=1S/C15H30N2O/c1-15(2,3)9-7-5-6-8-14(18)17-12-10-16(4)11-13-17/h5-13H2,1-4H3
InChIKeySVCWHNILOGZDLK-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.76
Rot. Bonds5

About 7,7-dimethyl-1-(4-methylpiperazin-1-yl)octan-1-one

7,7-dimethyl-1-(4-methylpiperazin-1-yl)octan-1-one (PubChem CID 138647099) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 7,7-dimethyl-1-(4-methylpiperazin-1-yl)octan-1-one.

Molecular Properties

Compound Name7,7-dimethyl-1-(4-methylpiperazin-1-yl)octan-1-one
PubChem CID138647099
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name7,7-dimethyl-1-(4-methylpiperazin-1-yl)octan-1-one
SMILESCN1CCN(C(=O)CCCCCC(C)(C)C)CC1
InChIInChI=1S/C15H30N2O/c1-15(2,3)9-7-5-6-8-14(18)17-12-10-16(4)11-13-17/h5-13H2,1-4H3
InChIKeySVCWHNILOGZDLK-UHFFFAOYSA-N
XLogP2.76
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-tert-butylpiperazin-1-yl)-6,6-dimethylheptan-1-one
CID 126654356
1-(4-methylpiperazin-1-yl)heptadecan-1-one
CID 10043612
1-(4-methylpiperazin-1-yl)hexan-1-one
CID 3470875
5,5-dimethyl-1-(4-methylsulfonylpiperazin-1-yl)hexan-1-one
CID 130266325
1-[10-(7,7-dimethyloctanoyl)-1,8,9,10-tetrazabicyclo[6.1.1]decan-9-yl]-7,7-dimethyloctan-1-one
CID 150756332
6-(4-methyl-1,4-diazepan-1-yl)-6-oxohexanoic acid
CID 43447207
1-(1,4-diazepan-1-yl)-5,5-dimethylhexan-1-one
CID 119418751
diaminomethylidene-[6-(4-methylpiperazin-1-yl)-6-oxohexyl]azanium
CID 146715510
4-(methylamino)-1-(4-methylpiperazin-1-yl)butan-1-one
CID 60840946
1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164
5,5-dimethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one
CID 119564039
1-(4-methylpiperazin-1-yl)-7-phenylheptan-1-one
CID 10827239

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-1-(4-methylpiperazin-1-yl)octan-1-one?
The IUPAC name of 7,7-dimethyl-1-(4-methylpiperazin-1-yl)octan-1-one (CID 138647099) is 7,7-dimethyl-1-(4-methylpiperazin-1-yl)octan-1-one.
What is the SMILES notation for 7,7-dimethyl-1-(4-methylpiperazin-1-yl)octan-1-one?
The canonical SMILES for 7,7-dimethyl-1-(4-methylpiperazin-1-yl)octan-1-one is CN1CCN(C(=O)CCCCCC(C)(C)C)CC1.
What is the InChIKey of 7,7-dimethyl-1-(4-methylpiperazin-1-yl)octan-1-one?
The InChIKey is SVCWHNILOGZDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-15(2,3)9-7-5-6-8-14(18)17-12-10-16(4)11-13-17/h5-13H2,1-4H3.
What are the key properties of 7,7-dimethyl-1-(4-methylpiperazin-1-yl)octan-1-one?
7,7-dimethyl-1-(4-methylpiperazin-1-yl)octan-1-one has a molecular weight of 254.42 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-1-(4-methylpiperazin-1-yl)octan-1-one is sourced from PubChem (CID 138647099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).