2-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-piperidin-1-ylethanone

C17H25N3O — CID 63219146

IUPAC2-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-piperidin-1-ylethanone
SMILESNCC1CCc2ccccc2N1CC(=O)N1CCCCC1
InChIInChI=1S/C17H25N3O/c18-12-15-9-8-14-6-2-3-7-16(14)20(15)13-17(21)19-10-4-1-5-11-19/h2-3,6-7,15H,1,4-5,8-13,18H2
InChIKeyJTJFKXVAIQVVKQ-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.78
Rot. Bonds3

About 2-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-piperidin-1-ylethanone

2-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 63219146) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-piperidin-1-ylethanone
PubChem CID63219146
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-piperidin-1-ylethanone
SMILESNCC1CCc2ccccc2N1CC(=O)N1CCCCC1
InChIInChI=1S/C17H25N3O/c18-12-15-9-8-14-6-2-3-7-16(14)20(15)13-17(21)19-10-4-1-5-11-19/h2-3,6-7,15H,1,4-5,8-13,18H2
InChIKeyJTJFKXVAIQVVKQ-UHFFFAOYSA-N
XLogP1.78
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylethanone
CID 162353371
[1-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine
CID 107912592
3-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropanamide
CID 55162347
3-amino-1-(2-oxo-2-pyrrolidin-1-ylethyl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 18612553
2-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-(3-methylbutyl)acetamide
CID 63219148
3-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-cyclopropylpropanamide
CID 63218976
(1-octyl-3,4-dihydro-2H-quinolin-2-yl)methanamine
CID 63527317
[1-(3,3-dimethylbutyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine
CID 63222371
4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 66430065
[1-(3-phenylpropyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine
CID 63218760
[1-(3-methylsulfonylpropyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine
CID 63218851
tert-butyl-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-4,5-dihydro-3H-1-benzazepin-3-yl]carbamic acid
CID 70032833

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-piperidin-1-ylethanone (CID 63219146) is 2-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-piperidin-1-ylethanone is NCC1CCc2ccccc2N1CC(=O)N1CCCCC1.
What is the InChIKey of 2-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is JTJFKXVAIQVVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c18-12-15-9-8-14-6-2-3-7-16(14)20(15)13-17(21)19-10-4-1-5-11-19/h2-3,6-7,15H,1,4-5,8-13,18H2.
What are the key properties of 2-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-piperidin-1-ylethanone?
2-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 287.41 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 63219146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).