2-methyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylpropan-1-one

C15H22N2O — CID 79045680

IUPAC2-methyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylpropan-1-one
SMILESCc1ccncc1C(=O)C(C)(C)N1CCCCC1
InChIInChI=1S/C15H22N2O/c1-12-7-8-16-11-13(12)14(18)15(2,3)17-9-5-4-6-10-17/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyRNGUMSLTKJJWGY-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.84
Rot. Bonds3

About 2-methyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylpropan-1-one

2-methyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylpropan-1-one (PubChem CID 79045680) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-methyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylpropan-1-one
PubChem CID79045680
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-methyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylpropan-1-one
SMILESCc1ccncc1C(=O)C(C)(C)N1CCCCC1
InChIInChI=1S/C15H22N2O/c1-12-7-8-16-11-13(12)14(18)15(2,3)17-9-5-4-6-10-17/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyRNGUMSLTKJJWGY-UHFFFAOYSA-N
XLogP2.84
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-methyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylpropan-1-one (CID 79045680) is 2-methyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-methyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-methyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylpropan-1-one is Cc1ccncc1C(=O)C(C)(C)N1CCCCC1.
What is the InChIKey of 2-methyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylpropan-1-one?
The InChIKey is RNGUMSLTKJJWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-7-8-16-11-13(12)14(18)15(2,3)17-9-5-4-6-10-17/h7-8,11H,4-6,9-10H2,1-3H3.
What are the key properties of 2-methyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylpropan-1-one?
2-methyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylpropan-1-one has a molecular weight of 246.35 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 79045680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).