1-[(2-methylquinolin-4-yl)methyl]piperidine-3-carboximidamide

C17H22N4 — CID 79230902

IUPAC1-[(2-methylquinolin-4-yl)methyl]piperidine-3-carboximidamide
SMILES[H]/N=C(\N)C1CCCN(Cc2cc(C)nc3ccccc23)C1
InChIInChI=1S/C17H22N4/c1-12-9-14(15-6-2-3-7-16(15)20-12)11-21-8-4-5-13(10-21)17(18)19/h2-3,6-7,9,13H,4-5,8,10-11H2,1H3,(H3,18,19)
InChIKeyWSHMEWGXAAIJHZ-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.69
Rot. Bonds3

About 1-[(2-methylquinolin-4-yl)methyl]piperidine-3-carboximidamide

1-[(2-methylquinolin-4-yl)methyl]piperidine-3-carboximidamide (PubChem CID 79230902) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[(2-methylquinolin-4-yl)methyl]piperidine-3-carboximidamide.

Molecular Properties

Compound Name1-[(2-methylquinolin-4-yl)methyl]piperidine-3-carboximidamide
PubChem CID79230902
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name1-[(2-methylquinolin-4-yl)methyl]piperidine-3-carboximidamide
SMILES[H]/N=C(\N)C1CCCN(Cc2cc(C)nc3ccccc23)C1
InChIInChI=1S/C17H22N4/c1-12-9-14(15-6-2-3-7-16(15)20-12)11-21-8-4-5-13(10-21)17(18)19/h2-3,6-7,9,13H,4-5,8,10-11H2,1H3,(H3,18,19)
InChIKeyWSHMEWGXAAIJHZ-UHFFFAOYSA-N
XLogP2.69
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[(2-methylquinolin-4-yl)methyl]piperidin-3-amine
CID 79234789
N-methyl-1-[(2-methylquinolin-4-yl)methyl]piperidin-3-amine;dihydrochloride
CID 119918724
3-methyl-1-[(2-methylquinolin-4-yl)methyl]piperidin-4-ol
CID 114502310
N-methyl-1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 119905590
4-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-2-methylquinoline
CID 81495492
[4-[(2-methylquinolin-4-yl)methyl]morpholin-2-yl]methanamine
CID 79235234
4-methyl-1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-3-amine
CID 103575145
1-[1-[(2-methylquinolin-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride
CID 119920625
(3S)-1-[(3-chloro-4-methylquinolin-2-yl)methyl]piperidine-3-carboxylic acid
CID 124694319
methyl 1-[(2-methylquinolin-4-yl)methyl]pyrrolidine-2-carboxylate
CID 78995219
methyl 1-(quinolin-4-ylmethyl)piperidine-3-carboxylate
CID 115537032
1-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]-2-phenylethanone
CID 56885682

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylquinolin-4-yl)methyl]piperidine-3-carboximidamide?
The IUPAC name of 1-[(2-methylquinolin-4-yl)methyl]piperidine-3-carboximidamide (CID 79230902) is 1-[(2-methylquinolin-4-yl)methyl]piperidine-3-carboximidamide.
What is the SMILES notation for 1-[(2-methylquinolin-4-yl)methyl]piperidine-3-carboximidamide?
The canonical SMILES for 1-[(2-methylquinolin-4-yl)methyl]piperidine-3-carboximidamide is [H]/N=C(\N)C1CCCN(Cc2cc(C)nc3ccccc23)C1.
What is the InChIKey of 1-[(2-methylquinolin-4-yl)methyl]piperidine-3-carboximidamide?
The InChIKey is WSHMEWGXAAIJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-12-9-14(15-6-2-3-7-16(15)20-12)11-21-8-4-5-13(10-21)17(18)19/h2-3,6-7,9,13H,4-5,8,10-11H2,1H3,(H3,18,19).
What are the key properties of 1-[(2-methylquinolin-4-yl)methyl]piperidine-3-carboximidamide?
1-[(2-methylquinolin-4-yl)methyl]piperidine-3-carboximidamide has a molecular weight of 282.39 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylquinolin-4-yl)methyl]piperidine-3-carboximidamide is sourced from PubChem (CID 79230902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).