1-[2-(aminomethyl)piperidin-1-yl]-2-pyridin-3-ylpropan-1-one;dihydrochloride

C14H23Cl2N3O — CID 119466897

IUPAC1-[2-(aminomethyl)piperidin-1-yl]-2-pyridin-3-ylpropan-1-one;dihydrochloride
SMILESCC(C(=O)N1CCCCC1CN)c1cccnc1.Cl.Cl
InChIInChI=1S/C14H21N3O.2ClH/c1-11(12-5-4-7-16-10-12)14(18)17-8-3-2-6-13(17)9-15;;/h4-5,7,10-11,13H,2-3,6,8-9,15H2,1H3;2*1H
InChIKeyXKLJYHNGYBGJTH-UHFFFAOYSA-N
MW320.26 g/mol
LogP2.37
Rot. Bonds3

About 1-[2-(aminomethyl)piperidin-1-yl]-2-pyridin-3-ylpropan-1-one;dihydrochloride

1-[2-(aminomethyl)piperidin-1-yl]-2-pyridin-3-ylpropan-1-one;dihydrochloride (PubChem CID 119466897) has the molecular formula C14H23Cl2N3O and a molecular weight of 320.26 g/mol. Its IUPAC name is 1-[2-(aminomethyl)piperidin-1-yl]-2-pyridin-3-ylpropan-1-one;dihydrochloride.

Molecular Properties

Compound Name1-[2-(aminomethyl)piperidin-1-yl]-2-pyridin-3-ylpropan-1-one;dihydrochloride
PubChem CID119466897
Molecular FormulaC14H23Cl2N3O
Molecular Weight320.26 g/mol
Exact Mass319.12
IUPAC Name1-[2-(aminomethyl)piperidin-1-yl]-2-pyridin-3-ylpropan-1-one;dihydrochloride
SMILESCC(C(=O)N1CCCCC1CN)c1cccnc1.Cl.Cl
InChIInChI=1S/C14H21N3O.2ClH/c1-11(12-5-4-7-16-10-12)14(18)17-8-3-2-6-13(17)9-15;;/h4-5,7,10-11,13H,2-3,6,8-9,15H2,1H3;2*1H
InChIKeyXKLJYHNGYBGJTH-UHFFFAOYSA-N
XLogP2.37
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.26
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-pyridin-3-ylpropan-1-one
CID 119649334
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(3-fluorophenyl)propan-1-one
CID 119631261
6-methyl-1-(2-pyridin-3-ylpropanoyl)piperidine-3-carboxylic acid
CID 122113209
1-[2-(aminomethyl)piperidin-1-yl]-2-(3-propan-2-ylphenoxy)propan-1-one
CID 119466741
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(3-nitrophenyl)propan-1-one
CID 106592253
1-[2-(aminomethyl)piperidin-1-yl]-2-[N-(pyridin-3-ylmethyl)anilino]ethanone;dihydrochloride
CID 119469325
1-[2-(aminomethyl)piperidin-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone;dihydrochloride
CID 119468149
1-[2-(aminomethyl)piperidin-1-yl]-2,3-dimethylbutan-1-one;hydrochloride
CID 119466546
[2-(aminomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 104671337
1-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
CID 125135147
(3S)-1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-3-pyridin-4-ylbutan-1-one
CID 125146161
[2-(2-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 79549270

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)piperidin-1-yl]-2-pyridin-3-ylpropan-1-one;dihydrochloride?
The IUPAC name of 1-[2-(aminomethyl)piperidin-1-yl]-2-pyridin-3-ylpropan-1-one;dihydrochloride (CID 119466897) is 1-[2-(aminomethyl)piperidin-1-yl]-2-pyridin-3-ylpropan-1-one;dihydrochloride.
What is the SMILES notation for 1-[2-(aminomethyl)piperidin-1-yl]-2-pyridin-3-ylpropan-1-one;dihydrochloride?
The canonical SMILES for 1-[2-(aminomethyl)piperidin-1-yl]-2-pyridin-3-ylpropan-1-one;dihydrochloride is CC(C(=O)N1CCCCC1CN)c1cccnc1.Cl.Cl.
What is the InChIKey of 1-[2-(aminomethyl)piperidin-1-yl]-2-pyridin-3-ylpropan-1-one;dihydrochloride?
The InChIKey is XKLJYHNGYBGJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O.2ClH/c1-11(12-5-4-7-16-10-12)14(18)17-8-3-2-6-13(17)9-15;;/h4-5,7,10-11,13H,2-3,6,8-9,15H2,1H3;2*1H.
What are the key properties of 1-[2-(aminomethyl)piperidin-1-yl]-2-pyridin-3-ylpropan-1-one;dihydrochloride?
1-[2-(aminomethyl)piperidin-1-yl]-2-pyridin-3-ylpropan-1-one;dihydrochloride has a molecular weight of 320.26 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)piperidin-1-yl]-2-pyridin-3-ylpropan-1-one;dihydrochloride is sourced from PubChem (CID 119466897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).