5-methyl-3-piperidin-4-yl-1H-pyridin-2-one;hydrochloride

C11H17ClN2O — CID 135145001

IUPAC5-methyl-3-piperidin-4-yl-1H-pyridin-2-one;hydrochloride
SMILESCc1c[nH]c(=O)c(C2CCNCC2)c1.Cl
InChIInChI=1S/C11H16N2O.ClH/c1-8-6-10(11(14)13-7-8)9-2-4-12-5-3-9;/h6-7,9,12H,2-5H2,1H3,(H,13,14);1H
InChIKeyFAOZMAWTRXKQBR-UHFFFAOYSA-N
MW228.72 g/mol
LogP1.57
Rot. Bonds1

About 5-methyl-3-piperidin-4-yl-1H-pyridin-2-one;hydrochloride

5-methyl-3-piperidin-4-yl-1H-pyridin-2-one;hydrochloride (PubChem CID 135145001) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 5-methyl-3-piperidin-4-yl-1H-pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name5-methyl-3-piperidin-4-yl-1H-pyridin-2-one;hydrochloride
PubChem CID135145001
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name5-methyl-3-piperidin-4-yl-1H-pyridin-2-one;hydrochloride
SMILESCc1c[nH]c(=O)c(C2CCNCC2)c1.Cl
InChIInChI=1S/C11H16N2O.ClH/c1-8-6-10(11(14)13-7-8)9-2-4-12-5-3-9;/h6-7,9,12H,2-5H2,1H3,(H,13,14);1H
InChIKeyFAOZMAWTRXKQBR-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 5-methyl-3-piperidin-4-yl-1H-pyridin-2-one;hydrochloride?
The IUPAC name of 5-methyl-3-piperidin-4-yl-1H-pyridin-2-one;hydrochloride (CID 135145001) is 5-methyl-3-piperidin-4-yl-1H-pyridin-2-one;hydrochloride.
What is the SMILES notation for 5-methyl-3-piperidin-4-yl-1H-pyridin-2-one;hydrochloride?
The canonical SMILES for 5-methyl-3-piperidin-4-yl-1H-pyridin-2-one;hydrochloride is Cc1c[nH]c(=O)c(C2CCNCC2)c1.Cl.
What is the InChIKey of 5-methyl-3-piperidin-4-yl-1H-pyridin-2-one;hydrochloride?
The InChIKey is FAOZMAWTRXKQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.ClH/c1-8-6-10(11(14)13-7-8)9-2-4-12-5-3-9;/h6-7,9,12H,2-5H2,1H3,(H,13,14);1H.
What are the key properties of 5-methyl-3-piperidin-4-yl-1H-pyridin-2-one;hydrochloride?
5-methyl-3-piperidin-4-yl-1H-pyridin-2-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 5-methyl-3-piperidin-4-yl-1H-pyridin-2-one;hydrochloride is sourced from PubChem (CID 135145001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).