1-(5-amino-2,2-dimethylpiperidin-1-yl)ethanone

C9H18N2O — CID 115269503

IUPAC1-(5-amino-2,2-dimethylpiperidin-1-yl)ethanone
SMILESCC(=O)N1CC(N)CCC1(C)C
InChIInChI=1S/C9H18N2O/c1-7(12)11-6-8(10)4-5-9(11,2)3/h8H,4-6,10H2,1-3H3
InChIKeyPXFYJFKLNKQNAA-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.73
Rot. Bonds

About 1-(5-amino-2,2-dimethylpiperidin-1-yl)ethanone

1-(5-amino-2,2-dimethylpiperidin-1-yl)ethanone (PubChem CID 115269503) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-(5-amino-2,2-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-amino-2,2-dimethylpiperidin-1-yl)ethanone
PubChem CID115269503
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-(5-amino-2,2-dimethylpiperidin-1-yl)ethanone
SMILESCC(=O)N1CC(N)CCC1(C)C
InChIInChI=1S/C9H18N2O/c1-7(12)11-6-8(10)4-5-9(11,2)3/h8H,4-6,10H2,1-3H3
InChIKeyPXFYJFKLNKQNAA-UHFFFAOYSA-N
XLogP0.73
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-amino-2,2-dimethylpiperidin-1-yl)-(furan-2-yl)methanone
CID 115269514
(5-amino-2,2-dimethylpiperidin-1-yl)-(2,5-dimethylphenyl)methanone
CID 115276339
6,6-dimethylpiperidine-1,3-dicarboxylic acid
CID 123690605
1-[(3R)-3-aminopyrrolidin-1-yl]ethanone;dihydrochloride
CID 154577426
4-amino-N-cyclopropyl-2,2-dimethylpyrrolidine-1-carboxamide
CID 115269144
methyl 3-(5-amino-2,2-dimethylpiperidin-1-yl)benzoate
CID 117021047
trans-(1R,3S)-3-amino-1-methylcyclopentane-1-carboxylic acid
CID 66932920
3-amino-1-methylcyclopentane-1-carboxylic acid
CID 67230266
1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(oxan-4-yl)ethanone
CID 115276226
1-(4-aminopiperidin-1-yl)ethanone;ethane
CID 142912103
1-[4-[(3S)-3-aminopyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 129406555
4-acetyl-4-azaspiro[2.5]octane-6-carboxylic acid
CID 167741680

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2,2-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(5-amino-2,2-dimethylpiperidin-1-yl)ethanone (CID 115269503) is 1-(5-amino-2,2-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(5-amino-2,2-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(5-amino-2,2-dimethylpiperidin-1-yl)ethanone is CC(=O)N1CC(N)CCC1(C)C.
What is the InChIKey of 1-(5-amino-2,2-dimethylpiperidin-1-yl)ethanone?
The InChIKey is PXFYJFKLNKQNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7(12)11-6-8(10)4-5-9(11,2)3/h8H,4-6,10H2,1-3H3.
What are the key properties of 1-(5-amino-2,2-dimethylpiperidin-1-yl)ethanone?
1-(5-amino-2,2-dimethylpiperidin-1-yl)ethanone has a molecular weight of 170.26 g/mol, XLogP of 0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2,2-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 115269503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).