1-(3-amino-4,4-dimethylpiperidin-1-yl)-4-cyclobutylbutan-1-one

C15H28N2O — CID 115276919

IUPAC1-(3-amino-4,4-dimethylpiperidin-1-yl)-4-cyclobutylbutan-1-one
SMILESCC1(C)CCN(C(=O)CCCC2CCC2)CC1N
InChIInChI=1S/C15H28N2O/c1-15(2)9-10-17(11-13(15)16)14(18)8-4-7-12-5-3-6-12/h12-13H,3-11,16H2,1-2H3
InChIKeyKUWKLUBXCGRWDL-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.54
Rot. Bonds4

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

1-(3-amino-4,4-dimethylpiperidin-1-yl)-4-cyclobutylbutan-1-one (PubChem CID 115276919) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-(3-amino-4,4-dimethylpiperidin-1-yl)-4-cyclobutylbutan-1-one.

Molecular Properties

Compound Name1-(3-amino-4,4-dimethylpiperidin-1-yl)-4-cyclobutylbutan-1-one
PubChem CID115276919
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-(3-amino-4,4-dimethylpiperidin-1-yl)-4-cyclobutylbutan-1-one
SMILESCC1(C)CCN(C(=O)CCCC2CCC2)CC1N
InChIInChI=1S/C15H28N2O/c1-15(2)9-10-17(11-13(15)16)14(18)8-4-7-12-5-3-6-12/h12-13H,3-11,16H2,1-2H3
InChIKeyKUWKLUBXCGRWDL-UHFFFAOYSA-N
XLogP2.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4,4-dimethylpiperidin-1-yl)-4-cyclobutylbutan-1-one?
The IUPAC name of 1-(3-amino-4,4-dimethylpiperidin-1-yl)-4-cyclobutylbutan-1-one (CID 115276919) is 1-(3-amino-4,4-dimethylpiperidin-1-yl)-4-cyclobutylbutan-1-one.
What is the SMILES notation for 1-(3-amino-4,4-dimethylpiperidin-1-yl)-4-cyclobutylbutan-1-one?
The canonical SMILES for 1-(3-amino-4,4-dimethylpiperidin-1-yl)-4-cyclobutylbutan-1-one is CC1(C)CCN(C(=O)CCCC2CCC2)CC1N.
What is the InChIKey of 1-(3-amino-4,4-dimethylpiperidin-1-yl)-4-cyclobutylbutan-1-one?
The InChIKey is KUWKLUBXCGRWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-15(2)9-10-17(11-13(15)16)14(18)8-4-7-12-5-3-6-12/h12-13H,3-11,16H2,1-2H3.
What are the key properties of 1-(3-amino-4,4-dimethylpiperidin-1-yl)-4-cyclobutylbutan-1-one?
1-(3-amino-4,4-dimethylpiperidin-1-yl)-4-cyclobutylbutan-1-one has a molecular weight of 252.40 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4,4-dimethylpiperidin-1-yl)-4-cyclobutylbutan-1-one is sourced from PubChem (CID 115276919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).