1-(4-amino-2,2-dimethylpiperidin-1-yl)-3-cyclobutylpropan-1-one

C14H26N2O — CID 115276179

IUPAC1-(4-amino-2,2-dimethylpiperidin-1-yl)-3-cyclobutylpropan-1-one
SMILESCC1(C)CC(N)CCN1C(=O)CCC1CCC1
InChIInChI=1S/C14H26N2O/c1-14(2)10-12(15)8-9-16(14)13(17)7-6-11-4-3-5-11/h11-12H,3-10,15H2,1-2H3
InChIKeyBAXJNFVFGACJNX-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.30
Rot. Bonds3

About 1-(4-amino-2,2-dimethylpiperidin-1-yl)-3-cyclobutylpropan-1-one

1-(4-amino-2,2-dimethylpiperidin-1-yl)-3-cyclobutylpropan-1-one (PubChem CID 115276179) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-(4-amino-2,2-dimethylpiperidin-1-yl)-3-cyclobutylpropan-1-one.

Molecular Properties

Compound Name1-(4-amino-2,2-dimethylpiperidin-1-yl)-3-cyclobutylpropan-1-one
PubChem CID115276179
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-(4-amino-2,2-dimethylpiperidin-1-yl)-3-cyclobutylpropan-1-one
SMILESCC1(C)CC(N)CCN1C(=O)CCC1CCC1
InChIInChI=1S/C14H26N2O/c1-14(2)10-12(15)8-9-16(14)13(17)7-6-11-4-3-5-11/h11-12H,3-10,15H2,1-2H3
InChIKeyBAXJNFVFGACJNX-UHFFFAOYSA-N
XLogP2.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-amino-2,2-dimethylpiperidin-1-yl)-2-cyclopentylethanone
CID 115276154
1-(4-amino-2,2-dimethylpiperidin-1-yl)butan-1-one
CID 83699578
1-(4-amino-2,2-dimethylpiperidin-1-yl)propan-1-one
CID 83696910
1-(4-amino-2,2-dimethylpyrrolidin-1-yl)-4-cyclopentylbutan-1-one
CID 115275751
3-cyclobutyl-1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)propan-1-one
CID 115275816
2-cyclobutyl-1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone
CID 115276015
1-(4-hydroxy-2,2-dimethylpyrrolidin-1-yl)-3-(1-methylpiperidin-4-yl)propan-1-one
CID 115275458
2-cyclohexyl-1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone
CID 115276010
1-(3-cyclopentylpropanoyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83075961
3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328
1-(2,2-dimethylpiperazin-1-yl)-3-(1-methylpiperidin-4-yl)propan-1-one
CID 115273158
1-(4-acetyl-1,4-diazepan-1-yl)-3-(3-aminocyclohexyl)propan-1-one
CID 80694908

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2,2-dimethylpiperidin-1-yl)-3-cyclobutylpropan-1-one?
The IUPAC name of 1-(4-amino-2,2-dimethylpiperidin-1-yl)-3-cyclobutylpropan-1-one (CID 115276179) is 1-(4-amino-2,2-dimethylpiperidin-1-yl)-3-cyclobutylpropan-1-one.
What is the SMILES notation for 1-(4-amino-2,2-dimethylpiperidin-1-yl)-3-cyclobutylpropan-1-one?
The canonical SMILES for 1-(4-amino-2,2-dimethylpiperidin-1-yl)-3-cyclobutylpropan-1-one is CC1(C)CC(N)CCN1C(=O)CCC1CCC1.
What is the InChIKey of 1-(4-amino-2,2-dimethylpiperidin-1-yl)-3-cyclobutylpropan-1-one?
The InChIKey is BAXJNFVFGACJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-14(2)10-12(15)8-9-16(14)13(17)7-6-11-4-3-5-11/h11-12H,3-10,15H2,1-2H3.
What are the key properties of 1-(4-amino-2,2-dimethylpiperidin-1-yl)-3-cyclobutylpropan-1-one?
1-(4-amino-2,2-dimethylpiperidin-1-yl)-3-cyclobutylpropan-1-one has a molecular weight of 238.37 g/mol, XLogP of 2.30, 3 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)-3-cyclobutylpropan-1-one is sourced from PubChem (CID 115276179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).