3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-one;hydrochloride

C12H17ClN2O — CID 15944967

IUPAC3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-one;hydrochloride
SMILESCC1CN(Cc2ccccn2)CCC1=O.Cl
InChIInChI=1S/C12H16N2O.ClH/c1-10-8-14(7-5-12(10)15)9-11-4-2-3-6-13-11;/h2-4,6,10H,5,7-9H2,1H3;1H
InChIKeyQHPZHZVGACIUDD-UHFFFAOYSA-N
MW240.73 g/mol
LogP1.91
Rot. Bonds2

About 3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-one;hydrochloride

3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-one;hydrochloride (PubChem CID 15944967) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-one;hydrochloride.

Molecular Properties

Compound Name3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-one;hydrochloride
PubChem CID15944967
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-one;hydrochloride
SMILESCC1CN(Cc2ccccn2)CCC1=O.Cl
InChIInChI=1S/C12H16N2O.ClH/c1-10-8-14(7-5-12(10)15)9-11-4-2-3-6-13-11;/h2-4,6,10H,5,7-9H2,1H3;1H
InChIKeyQHPZHZVGACIUDD-UHFFFAOYSA-N
XLogP1.91
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-Bis(2-pyridyl)-4(1H)-pyridone
CID 619353
2-(Dimethylaminomethyl)-pyridine
CID 252482
1-Pyridin-2-ylmethyl-piperazine hydrochloride
CID 24761072
2-(Diethylaminomethyl)-pyridine
CID 253822
1-Ethyl-4-(pyridin-3-ylmethyl)piperazine
CID 763449
(3E,5E)-1-methyl-3,5-bis(pyridin-2-ylmethylidene)piperidin-4-one
CID 2132479
(3E,5E)-1-Methyl-3,5-bis(3-pyridinylmethylene)-4-piperidinone
CID 2265242
2-Pyridinealdoxime O-isoamyl ether
CID 9561245
(2Z,6E)-4-methyl-2,6-bis(pyridin-2-ylmethylidene)cyclohexan-1-one
CID 2320898
2,5-Bis(piperidin-1-ylmethyl)pyridine
CID 127044985
N-[3-(dimethylamino)propyl]-N-(pyridin-2-ylmethyl)acetamide
CID 1921168
1-Pyridin-2-ylmethyl-piperidine-4-carboxylic acid hydrochloride
CID 16195169

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-one;hydrochloride?
The IUPAC name of 3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-one;hydrochloride (CID 15944967) is 3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-one;hydrochloride.
What is the SMILES notation for 3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-one;hydrochloride?
The canonical SMILES for 3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-one;hydrochloride is CC1CN(Cc2ccccn2)CCC1=O.Cl.
What is the InChIKey of 3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-one;hydrochloride?
The InChIKey is QHPZHZVGACIUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O.ClH/c1-10-8-14(7-5-12(10)15)9-11-4-2-3-6-13-11;/h2-4,6,10H,5,7-9H2,1H3;1H.
What are the key properties of 3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-one;hydrochloride?
3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-one;hydrochloride has a molecular weight of 240.73 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-one;hydrochloride is sourced from PubChem (CID 15944967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).