1-(3,3-dimethylpiperazin-1-yl)-3,5,5-trimethylhexan-1-one

C15H30N2O — CID 79507159

IUPAC1-(3,3-dimethylpiperazin-1-yl)-3,5,5-trimethylhexan-1-one
SMILESCC(CC(=O)N1CCNC(C)(C)C1)CC(C)(C)C
InChIInChI=1S/C15H30N2O/c1-12(10-14(2,3)4)9-13(18)17-8-7-16-15(5,6)11-17/h12,16H,7-11H2,1-6H3
InChIKeyFSBNJTOVNOTYCV-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.66
Rot. Bonds3

About 1-(3,3-dimethylpiperazin-1-yl)-3,5,5-trimethylhexan-1-one

1-(3,3-dimethylpiperazin-1-yl)-3,5,5-trimethylhexan-1-one (PubChem CID 79507159) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-(3,3-dimethylpiperazin-1-yl)-3,5,5-trimethylhexan-1-one.

Molecular Properties

Compound Name1-(3,3-dimethylpiperazin-1-yl)-3,5,5-trimethylhexan-1-one
PubChem CID79507159
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-(3,3-dimethylpiperazin-1-yl)-3,5,5-trimethylhexan-1-one
SMILESCC(CC(=O)N1CCNC(C)(C)C1)CC(C)(C)C
InChIInChI=1S/C15H30N2O/c1-12(10-14(2,3)4)9-13(18)17-8-7-16-15(5,6)11-17/h12,16H,7-11H2,1-6H3
InChIKeyFSBNJTOVNOTYCV-UHFFFAOYSA-N
XLogP2.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3-dimethylpiperazin-1-yl)-3-methylbutan-1-one
CID 79001578
(3R)-3,5,5-trimethyl-1-piperazin-1-ylhexan-1-one
CID 93256892
(3R)-1-(1,4-diazepan-1-yl)-3,5,5-trimethylhexan-1-one
CID 93256894
(2S)-1-(3,3-dimethylpiperazin-1-yl)-2-hydroxypropan-1-one
CID 130635624
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3,5,5-trimethylhexan-1-one
CID 115313983
3,5,5-trimethyl-1-(3-piperazin-1-ylazetidin-1-yl)hexan-1-one
CID 66203790
2-cyclopentyl-1-(3,3-dimethylpiperazin-1-yl)ethanone
CID 79506874
2,2,2-trichloro-1-(3,3-dimethylpiperazin-1-yl)ethanone
CID 82245855
1-(3,3-dimethylpiperazin-1-yl)-2-methylsulfanylpropan-1-one
CID 119141401
4-ethyl-1-(3,5,5-trimethylhexanoyl)piperidine-4-carboxylic acid
CID 63125277
3-(2,2-difluoroethoxy)-1-(3,3-dimethylpiperazin-1-yl)propan-1-one
CID 103206298
1-(3,3-dimethylpiperazin-1-yl)-2-propoxyethanone
CID 103722221

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylpiperazin-1-yl)-3,5,5-trimethylhexan-1-one?
The IUPAC name of 1-(3,3-dimethylpiperazin-1-yl)-3,5,5-trimethylhexan-1-one (CID 79507159) is 1-(3,3-dimethylpiperazin-1-yl)-3,5,5-trimethylhexan-1-one.
What is the SMILES notation for 1-(3,3-dimethylpiperazin-1-yl)-3,5,5-trimethylhexan-1-one?
The canonical SMILES for 1-(3,3-dimethylpiperazin-1-yl)-3,5,5-trimethylhexan-1-one is CC(CC(=O)N1CCNC(C)(C)C1)CC(C)(C)C.
What is the InChIKey of 1-(3,3-dimethylpiperazin-1-yl)-3,5,5-trimethylhexan-1-one?
The InChIKey is FSBNJTOVNOTYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-12(10-14(2,3)4)9-13(18)17-8-7-16-15(5,6)11-17/h12,16H,7-11H2,1-6H3.
What are the key properties of 1-(3,3-dimethylpiperazin-1-yl)-3,5,5-trimethylhexan-1-one?
1-(3,3-dimethylpiperazin-1-yl)-3,5,5-trimethylhexan-1-one has a molecular weight of 254.42 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylpiperazin-1-yl)-3,5,5-trimethylhexan-1-one is sourced from PubChem (CID 79507159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).