[3-(methylaminomethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride

C17H23Cl2N3O — CID 119398124

IUPAC[3-(methylaminomethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
SMILESCNCC1CCCN(C(=O)c2ccc3ncccc3c2)C1.Cl.Cl
InChIInChI=1S/C17H21N3O.2ClH/c1-18-11-13-4-3-9-20(12-13)17(21)15-6-7-16-14(10-15)5-2-8-19-16;;/h2,5-8,10,13,18H,3-4,9,11-12H2,1H3;2*1H
InChIKeyQVRYAVOYDMNLKM-UHFFFAOYSA-N
MW356.30 g/mol
LogP3.15
Rot. Bonds3

About [3-(methylaminomethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride

[3-(methylaminomethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride (PubChem CID 119398124) has the molecular formula C17H23Cl2N3O and a molecular weight of 356.30 g/mol. Its IUPAC name is [3-(methylaminomethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name[3-(methylaminomethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
PubChem CID119398124
Molecular FormulaC17H23Cl2N3O
Molecular Weight356.30 g/mol
Exact Mass355.12
IUPAC Name[3-(methylaminomethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
SMILESCNCC1CCCN(C(=O)c2ccc3ncccc3c2)C1.Cl.Cl
InChIInChI=1S/C17H21N3O.2ClH/c1-18-11-13-4-3-9-20(12-13)17(21)15-6-7-16-14(10-15)5-2-8-19-16;;/h2,5-8,10,13,18H,3-4,9,11-12H2,1H3;2*1H
InChIKeyQVRYAVOYDMNLKM-UHFFFAOYSA-N
XLogP3.15
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-hydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204151
[3-(methylaminomethyl)piperidin-1-yl]-(2-methyl-4-pyridinyl)methanone
CID 106753585
[(3R)-3-aminopyrrolidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119412655
(3-iodophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119395286
(3,4-dihydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 107728705
[3-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 61204344
(3-ethoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119397688
(4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119397460
(2-methylpyrimidin-5-yl)-[(3S)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 124966699
(3-imidazol-1-ylphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 122147578
[3-(methylaminomethyl)piperidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone;dihydrochloride
CID 119398103
(4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61205449

Frequently Asked Questions

What is the IUPAC name of [3-(methylaminomethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride?
The IUPAC name of [3-(methylaminomethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride (CID 119398124) is [3-(methylaminomethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride.
What is the SMILES notation for [3-(methylaminomethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride?
The canonical SMILES for [3-(methylaminomethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride is CNCC1CCCN(C(=O)c2ccc3ncccc3c2)C1.Cl.Cl.
What is the InChIKey of [3-(methylaminomethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride?
The InChIKey is QVRYAVOYDMNLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O.2ClH/c1-18-11-13-4-3-9-20(12-13)17(21)15-6-7-16-14(10-15)5-2-8-19-16;;/h2,5-8,10,13,18H,3-4,9,11-12H2,1H3;2*1H.
What are the key properties of [3-(methylaminomethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride?
[3-(methylaminomethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride has a molecular weight of 356.30 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylaminomethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride is sourced from PubChem (CID 119398124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).