2-methyl-6-piperidin-4-yl-1H-pyridin-4-one;hydrochloride

C11H17ClN2O — CID 71298765

IUPAC2-methyl-6-piperidin-4-yl-1H-pyridin-4-one;hydrochloride
SMILESCc1cc(=O)cc(C2CCNCC2)[nH]1.Cl
InChIInChI=1S/C11H16N2O.ClH/c1-8-6-10(14)7-11(13-8)9-2-4-12-5-3-9;/h6-7,9,12H,2-5H2,1H3,(H,13,14);1H
InChIKeyBKJBZYCHDUXOFQ-UHFFFAOYSA-N
MW228.72 g/mol
LogP1.57
Rot. Bonds1

About 2-methyl-6-piperidin-4-yl-1H-pyridin-4-one;hydrochloride

2-methyl-6-piperidin-4-yl-1H-pyridin-4-one;hydrochloride (PubChem CID 71298765) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 2-methyl-6-piperidin-4-yl-1H-pyridin-4-one;hydrochloride.

Molecular Properties

Compound Name2-methyl-6-piperidin-4-yl-1H-pyridin-4-one;hydrochloride
PubChem CID71298765
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name2-methyl-6-piperidin-4-yl-1H-pyridin-4-one;hydrochloride
SMILESCc1cc(=O)cc(C2CCNCC2)[nH]1.Cl
InChIInChI=1S/C11H16N2O.ClH/c1-8-6-10(14)7-11(13-8)9-2-4-12-5-3-9;/h6-7,9,12H,2-5H2,1H3,(H,13,14);1H
InChIKeyBKJBZYCHDUXOFQ-UHFFFAOYSA-N
XLogP1.57
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-piperidin-4-yl-1H-pyridin-4-one;hydrochloride?
The IUPAC name of 2-methyl-6-piperidin-4-yl-1H-pyridin-4-one;hydrochloride (CID 71298765) is 2-methyl-6-piperidin-4-yl-1H-pyridin-4-one;hydrochloride.
What is the SMILES notation for 2-methyl-6-piperidin-4-yl-1H-pyridin-4-one;hydrochloride?
The canonical SMILES for 2-methyl-6-piperidin-4-yl-1H-pyridin-4-one;hydrochloride is Cc1cc(=O)cc(C2CCNCC2)[nH]1.Cl.
What is the InChIKey of 2-methyl-6-piperidin-4-yl-1H-pyridin-4-one;hydrochloride?
The InChIKey is BKJBZYCHDUXOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.ClH/c1-8-6-10(14)7-11(13-8)9-2-4-12-5-3-9;/h6-7,9,12H,2-5H2,1H3,(H,13,14);1H.
What are the key properties of 2-methyl-6-piperidin-4-yl-1H-pyridin-4-one;hydrochloride?
2-methyl-6-piperidin-4-yl-1H-pyridin-4-one;hydrochloride has a molecular weight of 228.72 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-piperidin-4-yl-1H-pyridin-4-one;hydrochloride is sourced from PubChem (CID 71298765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).