[4-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone;dihydrochloride

C20H26Cl2N6O — CID 119518228

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone;dihydrochloride
SMILESCc1c(C(=O)N2CCC(C(C)N)CC2)nnn1-c1cccc2cccnc12.Cl.Cl
InChIInChI=1S/C20H24N6O.2ClH/c1-13(21)15-8-11-25(12-9-15)20(27)18-14(2)26(24-23-18)17-7-3-5-16-6-4-10-22-19(16)17;;/h3-7,10,13,15H,8-9,11-12,21H2,1-2H3;2*1H
InChIKeyRUMHSLHPUQKUTK-UHFFFAOYSA-N
MW437.38 g/mol
LogP3.17
Rot. Bonds3

About [4-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone;dihydrochloride

[4-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone;dihydrochloride (PubChem CID 119518228) has the molecular formula C20H26Cl2N6O and a molecular weight of 437.38 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone;dihydrochloride
PubChem CID119518228
Molecular FormulaC20H26Cl2N6O
Molecular Weight437.38 g/mol
Exact Mass436.15
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone;dihydrochloride
SMILESCc1c(C(=O)N2CCC(C(C)N)CC2)nnn1-c1cccc2cccnc12.Cl.Cl
InChIInChI=1S/C20H24N6O.2ClH/c1-13(21)15-8-11-25(12-9-15)20(27)18-14(2)26(24-23-18)17-7-3-5-16-6-4-10-22-19(16)17;;/h3-7,10,13,15H,8-9,11-12,21H2,1-2H3;2*1H
InChIKeyRUMHSLHPUQKUTK-UHFFFAOYSA-N
XLogP3.17
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone;dihydrochloride with MolForge

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Related Compounds

(4-hydroxypiperidin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
CID 111111026
[4-(ethylaminomethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
CID 119645672
[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
CID 167826166
(3-methylpiperazin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
CID 119577878
[2-(methylaminomethyl)pyrrolidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
CID 119649859
5-methyl-N-(1-piperidin-3-ylethyl)-1-quinolin-8-yltriazole-4-carboxamide
CID 167875096
N-[(1-acetylpyrrolidin-3-yl)methyl]-N,5-dimethyl-1-quinolin-8-yltriazole-4-carboxamide
CID 126768243
5-methyl-N-[(2S)-2-pyrrolidin-1-ylpropyl]-1-quinolin-8-yltriazole-4-carboxamide
CID 95179929
[2-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-quinolin-5-yltriazol-4-yl)methanone;dihydrochloride
CID 119437288
(4-aminopiperidin-1-yl)-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone;dihydrochloride
CID 119373681
N-[(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)methyl]-5-methyl-1-quinolin-8-yltriazole-4-carboxamide
CID 167923641
N-(1-aminohexan-2-yl)-5-methyl-1-quinolin-8-yltriazole-4-carboxamide;dihydrochloride
CID 119666236

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone;dihydrochloride?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone;dihydrochloride (CID 119518228) is [4-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone;dihydrochloride.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone;dihydrochloride?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone;dihydrochloride is Cc1c(C(=O)N2CCC(C(C)N)CC2)nnn1-c1cccc2cccnc12.Cl.Cl.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone;dihydrochloride?
The InChIKey is RUMHSLHPUQKUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O.2ClH/c1-13(21)15-8-11-25(12-9-15)20(27)18-14(2)26(24-23-18)17-7-3-5-16-6-4-10-22-19(16)17;;/h3-7,10,13,15H,8-9,11-12,21H2,1-2H3;2*1H.
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone;dihydrochloride?
[4-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone;dihydrochloride has a molecular weight of 437.38 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone;dihydrochloride is sourced from PubChem (CID 119518228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).