2-amino-1-[(2S,5S)-4-tert-butyl-2,5-dimethylpiperazin-1-yl]-2-methylpropan-1-one

C14H29N3O — CID 168747625

IUPAC2-amino-1-[(2S,5S)-4-tert-butyl-2,5-dimethylpiperazin-1-yl]-2-methylpropan-1-one
SMILESC[C@H]1CN(C(C)(C)C)[C@@H](C)CN1C(=O)C(C)(C)N
InChIInChI=1S/C14H29N3O/c1-10-9-17(13(3,4)5)11(2)8-16(10)12(18)14(6,7)15/h10-11H,8-9,15H2,1-7H3/t10-,11-/m0/s1
InChIKeyTUEVENHVYXKFQL-QWRGUYRKSA-N
MW255.41 g/mol
LogP1.44
Rot. Bonds1

About 2-amino-1-[(2S,5S)-4-tert-butyl-2,5-dimethylpiperazin-1-yl]-2-methylpropan-1-one

2-amino-1-[(2S,5S)-4-tert-butyl-2,5-dimethylpiperazin-1-yl]-2-methylpropan-1-one (PubChem CID 168747625) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-amino-1-[(2S,5S)-4-tert-butyl-2,5-dimethylpiperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-[(2S,5S)-4-tert-butyl-2,5-dimethylpiperazin-1-yl]-2-methylpropan-1-one
PubChem CID168747625
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-amino-1-[(2S,5S)-4-tert-butyl-2,5-dimethylpiperazin-1-yl]-2-methylpropan-1-one
SMILESC[C@H]1CN(C(C)(C)C)[C@@H](C)CN1C(=O)C(C)(C)N
InChIInChI=1S/C14H29N3O/c1-10-9-17(13(3,4)5)11(2)8-16(10)12(18)14(6,7)15/h10-11H,8-9,15H2,1-7H3/t10-,11-/m0/s1
InChIKeyTUEVENHVYXKFQL-QWRGUYRKSA-N
XLogP1.44
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-[(2S,5S)-4-tert-butyl-2,5-dimethylpiperazin-1-yl]-2-methylpropan-1-one with MolForge

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Related Compounds

1-tert-butyl-2-methylaziridine
CID 15557486
2-amino-2-methyl-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one;dihydrochloride
CID 119888242
[(2R,5S)-4-tert-butyl-2,5-dimethylpiperazin-1-yl]-(4-chlorophenyl)methanone
CID 176809510
1-[(2S,5S)-4-tert-butyl-2,5-dimethylpiperazin-1-yl]-2,2-dimethylpropan-1-one;1-[(2R,5S)-4-tert-butyl-2,5-dimethylpiperazin-1-yl]-2,2-dimethylpropan-1-one;1-[(2S,5R)-4-tert-butyl-2,5-dimethylpiperazin-1-yl]-2,2-dimethylpropan-1-one;1-[(2R,5R)-4-tert-butyl-2,5-dimethylpiperazin-1-yl]-2,2-dimethylpropan-1-one;1-[(2S)-4-tert-butyl-2-methylpiperazin-1-yl]-2,2-dimethylpropan-1-one;1-[(2R)-4-tert-butyl-2-methylpiperazin-1-yl]-2,2-dimethylpropan-1-one;1-[(3S)-4-tert-butyl-3-methylpiperazin-1-yl]-2,2-dimethylpropan-1-one;1-[(3R)-4-tert-butyl-3-methylpiperazin-1-yl]-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-one
CID 161140399
2-amino-2-methyl-1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 124693628
4-(2-amino-2-methylpropanoyl)-1-tert-butylpiperazine-2-carboxylic acid
CID 168747800
1-(2-amino-2-methylpropanoyl)piperidine-3,4-dicarboxylic acid
CID 112568085
1-(2,4-dimethylpiperazin-1-yl)-2,2-dimethylpropan-1-one
CID 23557236
ethyl 2-[(3R)-4-tert-butyl-3-methylpiperazin-1-yl]acetate
CID 159242052
1-(2-amino-2-methylpropanoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63720560
(2R,4S)-1-tert-butyl-4-chloro-2-methylpyrrolidine
CID 153298890
2-amino-2-methyl-1-(3-methylpiperidin-1-yl)propan-1-one;hydrochloride
CID 53409021

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(2S,5S)-4-tert-butyl-2,5-dimethylpiperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 2-amino-1-[(2S,5S)-4-tert-butyl-2,5-dimethylpiperazin-1-yl]-2-methylpropan-1-one (CID 168747625) is 2-amino-1-[(2S,5S)-4-tert-butyl-2,5-dimethylpiperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 2-amino-1-[(2S,5S)-4-tert-butyl-2,5-dimethylpiperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 2-amino-1-[(2S,5S)-4-tert-butyl-2,5-dimethylpiperazin-1-yl]-2-methylpropan-1-one is C[C@H]1CN(C(C)(C)C)[C@@H](C)CN1C(=O)C(C)(C)N.
What is the InChIKey of 2-amino-1-[(2S,5S)-4-tert-butyl-2,5-dimethylpiperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is TUEVENHVYXKFQL-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H29N3O/c1-10-9-17(13(3,4)5)11(2)8-16(10)12(18)14(6,7)15/h10-11H,8-9,15H2,1-7H3/t10-,11-/m0/s1.
What are the key properties of 2-amino-1-[(2S,5S)-4-tert-butyl-2,5-dimethylpiperazin-1-yl]-2-methylpropan-1-one?
2-amino-1-[(2S,5S)-4-tert-butyl-2,5-dimethylpiperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 255.41 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(2S,5S)-4-tert-butyl-2,5-dimethylpiperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 168747625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).