2-(2,4-dimethylpiperidin-1-yl)quinoline-4-carboximidamide

C17H22N4 — CID 63884156

IUPAC2-(2,4-dimethylpiperidin-1-yl)quinoline-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(N2CCC(C)CC2C)nc2ccccc12
InChIInChI=1S/C17H22N4/c1-11-7-8-21(12(2)9-11)16-10-14(17(18)19)13-5-3-4-6-15(13)20-16/h3-6,10-12H,7-9H2,1-2H3,(H3,18,19)
InChIKeyYFSVTLZIFPWGPG-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.14
Rot. Bonds2

About 2-(2,4-dimethylpiperidin-1-yl)quinoline-4-carboximidamide

2-(2,4-dimethylpiperidin-1-yl)quinoline-4-carboximidamide (PubChem CID 63884156) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-(2,4-dimethylpiperidin-1-yl)quinoline-4-carboximidamide.

Molecular Properties

Compound Name2-(2,4-dimethylpiperidin-1-yl)quinoline-4-carboximidamide
PubChem CID63884156
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name2-(2,4-dimethylpiperidin-1-yl)quinoline-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(N2CCC(C)CC2C)nc2ccccc12
InChIInChI=1S/C17H22N4/c1-11-7-8-21(12(2)9-11)16-10-14(17(18)19)13-5-3-4-6-15(13)20-16/h3-6,10-12H,7-9H2,1-2H3,(H3,18,19)
InChIKeyYFSVTLZIFPWGPG-UHFFFAOYSA-N
XLogP3.14
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.14
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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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpiperidin-1-yl)quinoline-4-carboximidamide?
The IUPAC name of 2-(2,4-dimethylpiperidin-1-yl)quinoline-4-carboximidamide (CID 63884156) is 2-(2,4-dimethylpiperidin-1-yl)quinoline-4-carboximidamide.
What is the SMILES notation for 2-(2,4-dimethylpiperidin-1-yl)quinoline-4-carboximidamide?
The canonical SMILES for 2-(2,4-dimethylpiperidin-1-yl)quinoline-4-carboximidamide is [H]/N=C(\N)c1cc(N2CCC(C)CC2C)nc2ccccc12.
What is the InChIKey of 2-(2,4-dimethylpiperidin-1-yl)quinoline-4-carboximidamide?
The InChIKey is YFSVTLZIFPWGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-11-7-8-21(12(2)9-11)16-10-14(17(18)19)13-5-3-4-6-15(13)20-16/h3-6,10-12H,7-9H2,1-2H3,(H3,18,19).
What are the key properties of 2-(2,4-dimethylpiperidin-1-yl)quinoline-4-carboximidamide?
2-(2,4-dimethylpiperidin-1-yl)quinoline-4-carboximidamide has a molecular weight of 282.39 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpiperidin-1-yl)quinoline-4-carboximidamide is sourced from PubChem (CID 63884156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).