1-(3,5-dimethylpiperazin-1-yl)-3,4,4-trimethylpentan-1-one

C14H28N2O — CID 63871945

IUPAC1-(3,5-dimethylpiperazin-1-yl)-3,4,4-trimethylpentan-1-one
SMILESCC1CN(C(=O)CC(C)C(C)(C)C)CC(C)N1
InChIInChI=1S/C14H28N2O/c1-10(14(4,5)6)7-13(17)16-8-11(2)15-12(3)9-16/h10-12,15H,7-9H2,1-6H3
InChIKeyWDIXRAPXDIIKIX-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.27
Rot. Bonds2

About 1-(3,5-dimethylpiperazin-1-yl)-3,4,4-trimethylpentan-1-one

1-(3,5-dimethylpiperazin-1-yl)-3,4,4-trimethylpentan-1-one (PubChem CID 63871945) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperazin-1-yl)-3,4,4-trimethylpentan-1-one.

Molecular Properties

Compound Name1-(3,5-dimethylpiperazin-1-yl)-3,4,4-trimethylpentan-1-one
PubChem CID63871945
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-(3,5-dimethylpiperazin-1-yl)-3,4,4-trimethylpentan-1-one
SMILESCC1CN(C(=O)CC(C)C(C)(C)C)CC(C)N1
InChIInChI=1S/C14H28N2O/c1-10(14(4,5)6)7-13(17)16-8-11(2)15-12(3)9-16/h10-12,15H,7-9H2,1-6H3
InChIKeyWDIXRAPXDIIKIX-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-methylbutan-1-one
CID 59272651
3,4,4-trimethyl-1-[(3S)-3-methylpiperazin-1-yl]pentan-1-one
CID 81427089
1-(3-hydroxyazetidin-1-yl)-3,4,4-trimethylpentan-1-one
CID 63832597
1-(3,5-dimethylpiperazin-1-yl)-4,4-dimethylpentan-1-one;hydrochloride
CID 119564749
(3R)-1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-3-(2-methylphenyl)butan-1-one
CID 124589406
1-(3,5-dimethylpiperazin-1-yl)-3-(2-methylphenyl)butan-1-one
CID 119564314
1-(3-bromo-4-methylpiperidin-1-yl)-3,4,4-trimethylpentan-1-one
CID 102962283
1-[(3S)-3-aminopyrrolidin-1-yl]-3,4,4-trimethylpentan-1-one;hydrochloride
CID 119934172
1-[3-(chloromethyl)pyrrolidin-1-yl]-3,4,4-trimethylpentan-1-one
CID 63833340
(3S)-1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-3-[2-(trifluoromethyl)phenyl]butan-1-one
CID 124779347
1-(3,5-dimethylpiperazin-1-yl)-2-methylbutan-1-one
CID 63874418
2-[4-(3,4,4-trimethylpentanoyl)piperazin-1-yl]propanoic acid
CID 63833922

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperazin-1-yl)-3,4,4-trimethylpentan-1-one?
The IUPAC name of 1-(3,5-dimethylpiperazin-1-yl)-3,4,4-trimethylpentan-1-one (CID 63871945) is 1-(3,5-dimethylpiperazin-1-yl)-3,4,4-trimethylpentan-1-one.
What is the SMILES notation for 1-(3,5-dimethylpiperazin-1-yl)-3,4,4-trimethylpentan-1-one?
The canonical SMILES for 1-(3,5-dimethylpiperazin-1-yl)-3,4,4-trimethylpentan-1-one is CC1CN(C(=O)CC(C)C(C)(C)C)CC(C)N1.
What is the InChIKey of 1-(3,5-dimethylpiperazin-1-yl)-3,4,4-trimethylpentan-1-one?
The InChIKey is WDIXRAPXDIIKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-10(14(4,5)6)7-13(17)16-8-11(2)15-12(3)9-16/h10-12,15H,7-9H2,1-6H3.
What are the key properties of 1-(3,5-dimethylpiperazin-1-yl)-3,4,4-trimethylpentan-1-one?
1-(3,5-dimethylpiperazin-1-yl)-3,4,4-trimethylpentan-1-one has a molecular weight of 240.39 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperazin-1-yl)-3,4,4-trimethylpentan-1-one is sourced from PubChem (CID 63871945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).