2,2-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one

C15H28N2O — CID 59835305

IUPAC2,2-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
SMILESCC(C)(C)C(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C15H28N2O/c1-15(2,3)14(18)17-11-7-13(8-12-17)16-9-5-4-6-10-16/h13H,4-12H2,1-3H3
InChIKeyRGIGRUCLFQQLOI-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.51
Rot. Bonds1

About 2,2-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one

2,2-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one (PubChem CID 59835305) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 2,2-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
PubChem CID59835305
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name2,2-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
SMILESCC(C)(C)C(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C15H28N2O/c1-15(2,3)14(18)17-11-7-13(8-12-17)16-9-5-4-6-10-16/h13H,4-12H2,1-3H3
InChIKeyRGIGRUCLFQQLOI-UHFFFAOYSA-N
XLogP2.51
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one (CID 59835305) is 2,2-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one is CC(C)(C)C(=O)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 2,2-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one?
The InChIKey is RGIGRUCLFQQLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-15(2,3)14(18)17-11-7-13(8-12-17)16-9-5-4-6-10-16/h13H,4-12H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one?
2,2-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one has a molecular weight of 252.40 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 59835305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).