1-cinnolin-4-yl-N-(2-fluoroethyl)piperidin-4-amine

C15H19FN4 — CID 174951080

IUPAC1-cinnolin-4-yl-N-(2-fluoroethyl)piperidin-4-amine
SMILESFCCNC1CCN(c2cnnc3ccccc23)CC1
InChIInChI=1S/C15H19FN4/c16-7-8-17-12-5-9-20(10-6-12)15-11-18-19-14-4-2-1-3-13(14)15/h1-4,11-12,17H,5-10H2
InChIKeyYZUCBTGFSLHLSR-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.16
Rot. Bonds4

About 1-cinnolin-4-yl-N-(2-fluoroethyl)piperidin-4-amine

1-cinnolin-4-yl-N-(2-fluoroethyl)piperidin-4-amine (PubChem CID 174951080) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is 1-cinnolin-4-yl-N-(2-fluoroethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-cinnolin-4-yl-N-(2-fluoroethyl)piperidin-4-amine
PubChem CID174951080
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC Name1-cinnolin-4-yl-N-(2-fluoroethyl)piperidin-4-amine
SMILESFCCNC1CCN(c2cnnc3ccccc23)CC1
InChIInChI=1S/C15H19FN4/c16-7-8-17-12-5-9-20(10-6-12)15-11-18-19-14-4-2-1-3-13(14)15/h1-4,11-12,17H,5-10H2
InChIKeyYZUCBTGFSLHLSR-UHFFFAOYSA-N
XLogP2.16
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cinnolin-4-yl-N-(2-fluoroethyl)piperidin-4-amine?
The IUPAC name of 1-cinnolin-4-yl-N-(2-fluoroethyl)piperidin-4-amine (CID 174951080) is 1-cinnolin-4-yl-N-(2-fluoroethyl)piperidin-4-amine.
What is the SMILES notation for 1-cinnolin-4-yl-N-(2-fluoroethyl)piperidin-4-amine?
The canonical SMILES for 1-cinnolin-4-yl-N-(2-fluoroethyl)piperidin-4-amine is FCCNC1CCN(c2cnnc3ccccc23)CC1.
What is the InChIKey of 1-cinnolin-4-yl-N-(2-fluoroethyl)piperidin-4-amine?
The InChIKey is YZUCBTGFSLHLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c16-7-8-17-12-5-9-20(10-6-12)15-11-18-19-14-4-2-1-3-13(14)15/h1-4,11-12,17H,5-10H2.
What are the key properties of 1-cinnolin-4-yl-N-(2-fluoroethyl)piperidin-4-amine?
1-cinnolin-4-yl-N-(2-fluoroethyl)piperidin-4-amine has a molecular weight of 274.34 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cinnolin-4-yl-N-(2-fluoroethyl)piperidin-4-amine is sourced from PubChem (CID 174951080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).