[3-(aminomethyl)piperidin-1-yl]-(2,6-dimethyl-3-pyridinyl)methanone;dihydrochloride

C14H23Cl2N3O — CID 119465061

IUPAC[3-(aminomethyl)piperidin-1-yl]-(2,6-dimethyl-3-pyridinyl)methanone;dihydrochloride
SMILESCc1ccc(C(=O)N2CCCC(CN)C2)c(C)n1.Cl.Cl
InChIInChI=1S/C14H21N3O.2ClH/c1-10-5-6-13(11(2)16-10)14(18)17-7-3-4-12(8-15)9-17;;/h5-6,12H,3-4,7-9,15H2,1-2H3;2*1H
InChIKeyPPYBWUMZZIFIEG-UHFFFAOYSA-N
MW320.26 g/mol
LogP2.35
Rot. Bonds2

About [3-(aminomethyl)piperidin-1-yl]-(2,6-dimethyl-3-pyridinyl)methanone;dihydrochloride

[3-(aminomethyl)piperidin-1-yl]-(2,6-dimethyl-3-pyridinyl)methanone;dihydrochloride (PubChem CID 119465061) has the molecular formula C14H23Cl2N3O and a molecular weight of 320.26 g/mol. Its IUPAC name is [3-(aminomethyl)piperidin-1-yl]-(2,6-dimethyl-3-pyridinyl)methanone;dihydrochloride.

Molecular Properties

Compound Name[3-(aminomethyl)piperidin-1-yl]-(2,6-dimethyl-3-pyridinyl)methanone;dihydrochloride
PubChem CID119465061
Molecular FormulaC14H23Cl2N3O
Molecular Weight320.26 g/mol
Exact Mass319.12
IUPAC Name[3-(aminomethyl)piperidin-1-yl]-(2,6-dimethyl-3-pyridinyl)methanone;dihydrochloride
SMILESCc1ccc(C(=O)N2CCCC(CN)C2)c(C)n1.Cl.Cl
InChIInChI=1S/C14H21N3O.2ClH/c1-10-5-6-13(11(2)16-10)14(18)17-7-3-4-12(8-15)9-17;;/h5-6,12H,3-4,7-9,15H2,1-2H3;2*1H
InChIKeyPPYBWUMZZIFIEG-UHFFFAOYSA-N
XLogP2.35
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.26
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-dimethyl-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 61060891
(2,6-dimethyl-3-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone
CID 61060522
1-(2,6-dimethylpyridine-3-carbonyl)piperidine-3-sulfonamide
CID 62830617
azepan-1-yl-(2,6-dimethyl-3-pyridinyl)methanone
CID 60924601
(4-aminopiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 62829888
[3-(aminomethyl)piperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone;hydrochloride
CID 119465078
[3-(aminomethyl)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 79217119
[3-(aminomethyl)piperidin-1-yl]-(2,3-dichlorophenyl)methanone;hydrochloride
CID 119464789
[3-(aminomethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone;hydrochloride
CID 119465009
(3-bromopyrrolidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 80677896
[3-(aminomethyl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone;hydrochloride
CID 119464967
[3-(aminomethyl)piperidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119464843

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)piperidin-1-yl]-(2,6-dimethyl-3-pyridinyl)methanone;dihydrochloride?
The IUPAC name of [3-(aminomethyl)piperidin-1-yl]-(2,6-dimethyl-3-pyridinyl)methanone;dihydrochloride (CID 119465061) is [3-(aminomethyl)piperidin-1-yl]-(2,6-dimethyl-3-pyridinyl)methanone;dihydrochloride.
What is the SMILES notation for [3-(aminomethyl)piperidin-1-yl]-(2,6-dimethyl-3-pyridinyl)methanone;dihydrochloride?
The canonical SMILES for [3-(aminomethyl)piperidin-1-yl]-(2,6-dimethyl-3-pyridinyl)methanone;dihydrochloride is Cc1ccc(C(=O)N2CCCC(CN)C2)c(C)n1.Cl.Cl.
What is the InChIKey of [3-(aminomethyl)piperidin-1-yl]-(2,6-dimethyl-3-pyridinyl)methanone;dihydrochloride?
The InChIKey is PPYBWUMZZIFIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O.2ClH/c1-10-5-6-13(11(2)16-10)14(18)17-7-3-4-12(8-15)9-17;;/h5-6,12H,3-4,7-9,15H2,1-2H3;2*1H.
What are the key properties of [3-(aminomethyl)piperidin-1-yl]-(2,6-dimethyl-3-pyridinyl)methanone;dihydrochloride?
[3-(aminomethyl)piperidin-1-yl]-(2,6-dimethyl-3-pyridinyl)methanone;dihydrochloride has a molecular weight of 320.26 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)piperidin-1-yl]-(2,6-dimethyl-3-pyridinyl)methanone;dihydrochloride is sourced from PubChem (CID 119465061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).