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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Related Compounds

5-methyl-3-piperidin-4-yl-1H-pyridin-2-one
CID 135145002
4-(2,3,5-trimethylphenyl)piperidine
CID 117292122
2-fluoro-5-methyl-3-piperidin-4-ylphenol
CID 117299013
2-methyl-6-piperidin-4-yl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 175780766
4-(2-fluoro-5-methylphenyl)azepane
CID 83262245
4-methyl-3-piperidin-4-yl-1H-pyridin-2-one
CID 135144921
4-(4,5-dichloro-2-methylphenyl)piperidine
CID 84802563
4-[5-methyl-2-(pyrrolidin-1-ylmethyl)phenyl]piperidine;dihydrochloride
CID 170994863
1,8-dimethyl-3-piperidin-4-yl-6H-pyrido[2,3-d]pyridazine-2,5-dione;hydrochloride
CID 168985367
4-(4-bromo-2,5-dimethylphenyl)piperidine
CID 84808321
4-[4-methyl-2-(trifluoromethoxy)phenyl]piperidine
CID 166120324
6-methoxy-3-piperidin-4-yl-1H-quinolin-2-one
CID 58181102

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).