1-(4-amino-2,2-dimethylpiperidin-1-yl)propan-1-one

C10H20N2O — CID 83696910

IUPAC1-(4-amino-2,2-dimethylpiperidin-1-yl)propan-1-one
SMILESCCC(=O)N1CCC(N)CC1(C)C
InChIInChI=1S/C10H20N2O/c1-4-9(13)12-6-5-8(11)7-10(12,2)3/h8H,4-7,11H2,1-3H3
InChIKeyZYKFZNFGBQPLHW-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.12
Rot. Bonds1

About 1-(4-amino-2,2-dimethylpiperidin-1-yl)propan-1-one

1-(4-amino-2,2-dimethylpiperidin-1-yl)propan-1-one (PubChem CID 83696910) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(4-amino-2,2-dimethylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-amino-2,2-dimethylpiperidin-1-yl)propan-1-one
PubChem CID83696910
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-(4-amino-2,2-dimethylpiperidin-1-yl)propan-1-one
SMILESCCC(=O)N1CCC(N)CC1(C)C
InChIInChI=1S/C10H20N2O/c1-4-9(13)12-6-5-8(11)7-10(12,2)3/h8H,4-7,11H2,1-3H3
InChIKeyZYKFZNFGBQPLHW-UHFFFAOYSA-N
XLogP1.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-amino-2,2-dimethylpiperidin-1-yl)butan-1-one
CID 83699578
1-(4-amino-2,2-dimethylpiperidin-1-yl)-2-cyclopentylethanone
CID 115276154
1-(4-amino-2,2-dimethylpiperidin-1-yl)-3-cyclobutylpropan-1-one
CID 115276179
1-(4-amino-2,2-dimethylpyrrolidin-1-yl)-4-cyclopentylbutan-1-one
CID 115275751
2-cyclobutyl-1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone
CID 115276015
(4-amino-2,2-dimethylpiperidin-1-yl)-(1H-pyrrol-2-yl)methanone
CID 115276130
2-cyclohexyl-1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone
CID 115276010
4-amino-N-cyclopropyl-2,2-dimethylpyrrolidine-1-carboxamide
CID 115269144
(4-amino-2,2-dimethylpiperidin-1-yl)-(2,4-difluorophenyl)methanone
CID 115276129
(4-amino-2,2-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone
CID 115276128
1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)heptan-1-one
CID 115276032
(4-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone
CID 119374903

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2,2-dimethylpiperidin-1-yl)propan-1-one?
The IUPAC name of 1-(4-amino-2,2-dimethylpiperidin-1-yl)propan-1-one (CID 83696910) is 1-(4-amino-2,2-dimethylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-amino-2,2-dimethylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 1-(4-amino-2,2-dimethylpiperidin-1-yl)propan-1-one is CCC(=O)N1CCC(N)CC1(C)C.
What is the InChIKey of 1-(4-amino-2,2-dimethylpiperidin-1-yl)propan-1-one?
The InChIKey is ZYKFZNFGBQPLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-4-9(13)12-6-5-8(11)7-10(12,2)3/h8H,4-7,11H2,1-3H3.
What are the key properties of 1-(4-amino-2,2-dimethylpiperidin-1-yl)propan-1-one?
1-(4-amino-2,2-dimethylpiperidin-1-yl)propan-1-one has a molecular weight of 184.28 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2,2-dimethylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 83696910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).