1-(3-aminopiperidin-1-yl)-4,4-dimethylpentan-1-one

C12H24N2O — CID 115277222

IUPAC1-(3-aminopiperidin-1-yl)-4,4-dimethylpentan-1-one
SMILESCC(C)(C)CCC(=O)N1CCCC(N)C1
InChIInChI=1S/C12H24N2O/c1-12(2,3)7-6-11(15)14-8-4-5-10(13)9-14/h10H,4-9,13H2,1-3H3
InChIKeyRCYUZJHQKQRNDY-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.76
Rot. Bonds2

About 1-(3-aminopiperidin-1-yl)-4,4-dimethylpentan-1-one

1-(3-aminopiperidin-1-yl)-4,4-dimethylpentan-1-one (PubChem CID 115277222) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-4,4-dimethylpentan-1-one.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-4,4-dimethylpentan-1-one
PubChem CID115277222
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-(3-aminopiperidin-1-yl)-4,4-dimethylpentan-1-one
SMILESCC(C)(C)CCC(=O)N1CCCC(N)C1
InChIInChI=1S/C12H24N2O/c1-12(2,3)7-6-11(15)14-8-4-5-10(13)9-14/h10H,4-9,13H2,1-3H3
InChIKeyRCYUZJHQKQRNDY-UHFFFAOYSA-N
XLogP1.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3R)-3-aminopiperidin-1-yl]-3-cyclohexylpropan-1-one
CID 102978602
1-(3-aminopiperidin-1-yl)-4-cyclobutylbutan-1-one
CID 115277271
3-amino-1-[(3R)-3-aminopiperidin-1-yl]propan-1-one
CID 130686202
1-(3-aminopiperidin-1-yl)-4-(oxan-4-yl)butan-1-one
CID 115277266
1-(3-aminopiperidin-1-yl)-3-methoxy-3-methylbutan-1-one
CID 103017160
1-[(3R)-3-aminopiperidin-1-yl]pent-4-en-1-one
CID 94547441
1-(3-hydroxypiperidin-1-yl)-5,5-dimethylhexan-1-one
CID 110935763
1-[(3R)-3-aminopiperidin-1-yl]-4-ethoxybutan-1-one
CID 102978557
1-[(3R)-3-aminopiperidin-1-yl]-2,2-dimethylbutan-1-one
CID 94547731
3-amino-1-(3-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;hydrochloride
CID 130637170
1-(3-aminopiperidin-1-yl)-3-(4-ethylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 119379909
1-[3-(2-aminoethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 63766130

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-4,4-dimethylpentan-1-one?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-4,4-dimethylpentan-1-one (CID 115277222) is 1-(3-aminopiperidin-1-yl)-4,4-dimethylpentan-1-one.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-4,4-dimethylpentan-1-one?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-4,4-dimethylpentan-1-one is CC(C)(C)CCC(=O)N1CCCC(N)C1.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-4,4-dimethylpentan-1-one?
The InChIKey is RCYUZJHQKQRNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-12(2,3)7-6-11(15)14-8-4-5-10(13)9-14/h10H,4-9,13H2,1-3H3.
What are the key properties of 1-(3-aminopiperidin-1-yl)-4,4-dimethylpentan-1-one?
1-(3-aminopiperidin-1-yl)-4,4-dimethylpentan-1-one has a molecular weight of 212.34 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidin-1-yl)-4,4-dimethylpentan-1-one is sourced from PubChem (CID 115277222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).