3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidin-4-one

C13H18N2O — CID 62995501

IUPAC3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidin-4-one
SMILESCc1ccc(CN2CCC(=O)C(C)C2)cn1
InChIInChI=1S/C13H18N2O/c1-10-8-15(6-5-13(10)16)9-12-4-3-11(2)14-7-12/h3-4,7,10H,5-6,8-9H2,1-2H3
InChIKeyJVBWLPMTVUVKJX-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.80
Rot. Bonds2

About 3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidin-4-one

3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidin-4-one (PubChem CID 62995501) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidin-4-one.

Molecular Properties

Compound Name3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidin-4-one
PubChem CID62995501
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidin-4-one
SMILESCc1ccc(CN2CCC(=O)C(C)C2)cn1
InChIInChI=1S/C13H18N2O/c1-10-8-15(6-5-13(10)16)9-12-4-3-11(2)14-7-12/h3-4,7,10H,5-6,8-9H2,1-2H3
InChIKeyJVBWLPMTVUVKJX-UHFFFAOYSA-N
XLogP1.80
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidin-4-one?
The IUPAC name of 3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidin-4-one (CID 62995501) is 3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidin-4-one.
What is the SMILES notation for 3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidin-4-one?
The canonical SMILES for 3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidin-4-one is Cc1ccc(CN2CCC(=O)C(C)C2)cn1.
What is the InChIKey of 3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidin-4-one?
The InChIKey is JVBWLPMTVUVKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10-8-15(6-5-13(10)16)9-12-4-3-11(2)14-7-12/h3-4,7,10H,5-6,8-9H2,1-2H3.
What are the key properties of 3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidin-4-one?
3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidin-4-one has a molecular weight of 218.30 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidin-4-one is sourced from PubChem (CID 62995501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).