2-amino-1-(4-aminopiperidin-1-yl)-2-methylpropan-1-one

C9H19N3O — CID 110460861

IUPAC2-amino-1-(4-aminopiperidin-1-yl)-2-methylpropan-1-one
SMILESCC(C)(N)C(=O)N1CCC(N)CC1
InChIInChI=1S/C9H19N3O/c1-9(2,11)8(13)12-5-3-7(10)4-6-12/h7H,3-6,10-11H2,1-2H3
InChIKeyZRLVMGSQIXZNIR-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.33
Rot. Bonds1

About 2-amino-1-(4-aminopiperidin-1-yl)-2-methylpropan-1-one

2-amino-1-(4-aminopiperidin-1-yl)-2-methylpropan-1-one (PubChem CID 110460861) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-amino-1-(4-aminopiperidin-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-aminopiperidin-1-yl)-2-methylpropan-1-one
PubChem CID110460861
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-amino-1-(4-aminopiperidin-1-yl)-2-methylpropan-1-one
SMILESCC(C)(N)C(=O)N1CCC(N)CC1
InChIInChI=1S/C9H19N3O/c1-9(2,11)8(13)12-5-3-7(10)4-6-12/h7H,3-6,10-11H2,1-2H3
InChIKeyZRLVMGSQIXZNIR-UHFFFAOYSA-N
XLogP-0.33
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminopiperidin-1-yl)-2-chloro-2-methylpropan-1-one
CID 71122882
1-(4-aminopiperidin-1-yl)-2-methyl-2-piperidin-1-ylpropan-1-one
CID 39260263
2-amino-1-[4-(diethylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 61264863
2-amino-2-methyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 61264661
1-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 119281311
1-(2-amino-2-methylpropanoyl)piperidine-3,4-dicarboxylic acid
CID 112568085
1-(4-aminopiperidin-1-yl)ethanone;ethane
CID 142912103
2-amino-2-methyl-1-[4-(2-methylpropoxy)piperidin-1-yl]propan-1-one
CID 83625811
2-amino-1-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 119322639
1-(4-aminopiperidin-1-yl)-2,3,3-trimethylbutan-1-one
CID 119374050
1-(4-aminopiperidin-1-yl)-2-methyl-2-(4-methylphenyl)propan-1-one;hydrochloride
CID 119373668
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-(4-aminopiperidin-1-yl)-2-methylpropan-1-one?
The IUPAC name of 2-amino-1-(4-aminopiperidin-1-yl)-2-methylpropan-1-one (CID 110460861) is 2-amino-1-(4-aminopiperidin-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 2-amino-1-(4-aminopiperidin-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 2-amino-1-(4-aminopiperidin-1-yl)-2-methylpropan-1-one is CC(C)(N)C(=O)N1CCC(N)CC1.
What is the InChIKey of 2-amino-1-(4-aminopiperidin-1-yl)-2-methylpropan-1-one?
The InChIKey is ZRLVMGSQIXZNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-9(2,11)8(13)12-5-3-7(10)4-6-12/h7H,3-6,10-11H2,1-2H3.
What are the key properties of 2-amino-1-(4-aminopiperidin-1-yl)-2-methylpropan-1-one?
2-amino-1-(4-aminopiperidin-1-yl)-2-methylpropan-1-one has a molecular weight of 185.27 g/mol, XLogP of -0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-aminopiperidin-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 110460861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).