1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-one

C12H16N2O — CID 62307525

IUPAC1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-one
SMILESCc1cccc(CN2CCC(=O)CC2)n1
InChIInChI=1S/C12H16N2O/c1-10-3-2-4-11(13-10)9-14-7-5-12(15)6-8-14/h2-4H,5-9H2,1H3
InChIKeyAUSBLVNNZXVVSK-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.55
Rot. Bonds2

About 1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-one

1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-one (PubChem CID 62307525) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-one.

Molecular Properties

Compound Name1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-one
PubChem CID62307525
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-one
SMILESCc1cccc(CN2CCC(=O)CC2)n1
InChIInChI=1S/C12H16N2O/c1-10-3-2-4-11(13-10)9-14-7-5-12(15)6-8-14/h2-4H,5-9H2,1H3
InChIKeyAUSBLVNNZXVVSK-UHFFFAOYSA-N
XLogP1.55
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-one?
The IUPAC name of 1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-one (CID 62307525) is 1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-one.
What is the SMILES notation for 1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-one?
The canonical SMILES for 1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-one is Cc1cccc(CN2CCC(=O)CC2)n1.
What is the InChIKey of 1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-one?
The InChIKey is AUSBLVNNZXVVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-10-3-2-4-11(13-10)9-14-7-5-12(15)6-8-14/h2-4H,5-9H2,1H3.
What are the key properties of 1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-one?
1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-one has a molecular weight of 204.27 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-one is sourced from PubChem (CID 62307525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).