1-[(1-methyl-2H-pyridin-4-yl)methyl]piperidin-4-one

C12H18N2O — CID 143217615

IUPAC1-[(1-methyl-2H-pyridin-4-yl)methyl]piperidin-4-one
SMILESCN1C=CC(CN2CCC(=O)CC2)=CC1
InChIInChI=1S/C12H18N2O/c1-13-6-2-11(3-7-13)10-14-8-4-12(15)5-9-14/h2-3,6H,4-5,7-10H2,1H3
InChIKeyFNCAOFLOXDFFPB-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.04
Rot. Bonds2

About 1-[(1-methyl-2H-pyridin-4-yl)methyl]piperidin-4-one

1-[(1-methyl-2H-pyridin-4-yl)methyl]piperidin-4-one (PubChem CID 143217615) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-[(1-methyl-2H-pyridin-4-yl)methyl]piperidin-4-one.

Molecular Properties

Compound Name1-[(1-methyl-2H-pyridin-4-yl)methyl]piperidin-4-one
PubChem CID143217615
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-[(1-methyl-2H-pyridin-4-yl)methyl]piperidin-4-one
SMILESCN1C=CC(CN2CCC(=O)CC2)=CC1
InChIInChI=1S/C12H18N2O/c1-13-6-2-11(3-7-13)10-14-8-4-12(15)5-9-14/h2-3,6H,4-5,7-10H2,1H3
InChIKeyFNCAOFLOXDFFPB-UHFFFAOYSA-N
XLogP1.04
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methyl-2H-pyridin-4-yl)methyl]piperidin-4-one?
The IUPAC name of 1-[(1-methyl-2H-pyridin-4-yl)methyl]piperidin-4-one (CID 143217615) is 1-[(1-methyl-2H-pyridin-4-yl)methyl]piperidin-4-one.
What is the SMILES notation for 1-[(1-methyl-2H-pyridin-4-yl)methyl]piperidin-4-one?
The canonical SMILES for 1-[(1-methyl-2H-pyridin-4-yl)methyl]piperidin-4-one is CN1C=CC(CN2CCC(=O)CC2)=CC1.
What is the InChIKey of 1-[(1-methyl-2H-pyridin-4-yl)methyl]piperidin-4-one?
The InChIKey is FNCAOFLOXDFFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-13-6-2-11(3-7-13)10-14-8-4-12(15)5-9-14/h2-3,6H,4-5,7-10H2,1H3.
What are the key properties of 1-[(1-methyl-2H-pyridin-4-yl)methyl]piperidin-4-one?
1-[(1-methyl-2H-pyridin-4-yl)methyl]piperidin-4-one has a molecular weight of 206.29 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methyl-2H-pyridin-4-yl)methyl]piperidin-4-one is sourced from PubChem (CID 143217615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).