3-amino-2,2-dimethyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one

C12H25N3O — CID 114536811

IUPAC3-amino-2,2-dimethyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one
SMILESCC1CN(C(=O)C(C)(C)CN)CC(C)N1C
InChIInChI=1S/C12H25N3O/c1-9-6-15(7-10(2)14(9)5)11(16)12(3,4)8-13/h9-10H,6-8,13H2,1-5H3
InChIKeyQNIPACNXFBEHFL-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.52
Rot. Bonds2

About 3-amino-2,2-dimethyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one

3-amino-2,2-dimethyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one (PubChem CID 114536811) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one
PubChem CID114536811
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name3-amino-2,2-dimethyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one
SMILESCC1CN(C(=O)C(C)(C)CN)CC(C)N1C
InChIInChI=1S/C12H25N3O/c1-9-6-15(7-10(2)14(9)5)11(16)12(3,4)8-13/h9-10H,6-8,13H2,1-5H3
InChIKeyQNIPACNXFBEHFL-UHFFFAOYSA-N
XLogP0.52
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-2-methyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one
CID 103430580
3-amino-1-(2,6-dimethylthiomorpholin-4-yl)-2,2-dimethylpropan-1-one
CID 81489730
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-2,2-dimethylpropan-1-one;hydrochloride
CID 119788314
2-methyl-2-(methylamino)-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one
CID 114536828
3-amino-1-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylpropan-1-one
CID 63610949
3-amino-1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 112624833
3-amino-1-(3-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;hydrochloride
CID 130637170
4-amino-2-methyl-1-(3,4,5-trimethylpiperazin-1-yl)butan-1-one
CID 114536787
(3S,5R)-3,4,5-trimethylpiperazine-1-carboxylic acid
CID 68968098
3-amino-1-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 64569299
3-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 81489049
(3R,5S)-3,4,5-trimethylpiperazine-1-carbonyl chloride
CID 131028451

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-amino-2,2-dimethyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one (CID 114536811) is 3-amino-2,2-dimethyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-amino-2,2-dimethyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-amino-2,2-dimethyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one is CC1CN(C(=O)C(C)(C)CN)CC(C)N1C.
What is the InChIKey of 3-amino-2,2-dimethyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one?
The InChIKey is QNIPACNXFBEHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-9-6-15(7-10(2)14(9)5)11(16)12(3,4)8-13/h9-10H,6-8,13H2,1-5H3.
What are the key properties of 3-amino-2,2-dimethyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one?
3-amino-2,2-dimethyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one has a molecular weight of 227.35 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 114536811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).