[3-(1-aminoethyl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone

C18H23N3O — CID 119595926

IUPAC[3-(1-aminoethyl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCCC(C(C)N)C2)c2ccccc2n1
InChIInChI=1S/C18H23N3O/c1-12-10-16(15-7-3-4-8-17(15)20-12)18(22)21-9-5-6-14(11-21)13(2)19/h3-4,7-8,10,13-14H,5-6,9,11,19H2,1-2H3
InChIKeyLFCUFXBSISYJEX-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.74
Rot. Bonds2

About [3-(1-aminoethyl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone

[3-(1-aminoethyl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone (PubChem CID 119595926) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is [3-(1-aminoethyl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[3-(1-aminoethyl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone
PubChem CID119595926
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name[3-(1-aminoethyl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCCC(C(C)N)C2)c2ccccc2n1
InChIInChI=1S/C18H23N3O/c1-12-10-16(15-7-3-4-8-17(15)20-12)18(22)21-9-5-6-14(11-21)13(2)19/h3-4,7-8,10,13-14H,5-6,9,11,19H2,1-2H3
InChIKeyLFCUFXBSISYJEX-UHFFFAOYSA-N
XLogP2.74
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(1-aminoethyl)piperidin-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone
CID 119594358
[3-(2-aminoethyl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 120727676
[(3R)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119412550
[(3S)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119934500
[3-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 119594584
[3-(1-aminoethyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 82830655
(4-amino-3-methylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119592520
(3,5-dimethylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 51161951
(3-hydroxyazetidin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 63105082
[3-(1-aminoethyl)piperidin-1-yl]-(6-chloro-2-cyclopropylquinolin-4-yl)methanone
CID 119595298
1-(2-methylquinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 24698090
[4-(1-aminoethyl)piperidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone
CID 119520643

Frequently Asked Questions

What is the IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone?
The IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone (CID 119595926) is [3-(1-aminoethyl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone.
What is the SMILES notation for [3-(1-aminoethyl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone?
The canonical SMILES for [3-(1-aminoethyl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone is Cc1cc(C(=O)N2CCCC(C(C)N)C2)c2ccccc2n1.
What is the InChIKey of [3-(1-aminoethyl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone?
The InChIKey is LFCUFXBSISYJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-12-10-16(15-7-3-4-8-17(15)20-12)18(22)21-9-5-6-14(11-21)13(2)19/h3-4,7-8,10,13-14H,5-6,9,11,19H2,1-2H3.
What are the key properties of [3-(1-aminoethyl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone?
[3-(1-aminoethyl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone has a molecular weight of 297.40 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-aminoethyl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone is sourced from PubChem (CID 119595926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).