N-(3-fluorophenyl)-1-(furan-3-ylmethyl)piperidin-4-amine

C16H19FN2O — CID 4637579

IUPACN-(3-fluorophenyl)-1-(furan-3-ylmethyl)piperidin-4-amine
SMILESFc1cccc(NC2CCN(Cc3ccoc3)CC2)c1
InChIInChI=1S/C16H19FN2O/c17-14-2-1-3-16(10-14)18-15-4-7-19(8-5-15)11-13-6-9-20-12-13/h1-3,6,9-10,12,15,18H,4-5,7-8,11H2
InChIKeyUUQKREJJCLUXLI-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.50
Rot. Bonds4

About N-(3-fluorophenyl)-1-(furan-3-ylmethyl)piperidin-4-amine

N-(3-fluorophenyl)-1-(furan-3-ylmethyl)piperidin-4-amine (PubChem CID 4637579) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is N-(3-fluorophenyl)-1-(furan-3-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-1-(furan-3-ylmethyl)piperidin-4-amine
PubChem CID4637579
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC NameN-(3-fluorophenyl)-1-(furan-3-ylmethyl)piperidin-4-amine
SMILESFc1cccc(NC2CCN(Cc3ccoc3)CC2)c1
InChIInChI=1S/C16H19FN2O/c17-14-2-1-3-16(10-14)18-15-4-7-19(8-5-15)11-13-6-9-20-12-13/h1-3,6,9-10,12,15,18H,4-5,7-8,11H2
InChIKeyUUQKREJJCLUXLI-UHFFFAOYSA-N
XLogP3.50
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-1-(furan-3-ylmethyl)piperidin-4-amine?
The IUPAC name of N-(3-fluorophenyl)-1-(furan-3-ylmethyl)piperidin-4-amine (CID 4637579) is N-(3-fluorophenyl)-1-(furan-3-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-(3-fluorophenyl)-1-(furan-3-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-(3-fluorophenyl)-1-(furan-3-ylmethyl)piperidin-4-amine is Fc1cccc(NC2CCN(Cc3ccoc3)CC2)c1.
What is the InChIKey of N-(3-fluorophenyl)-1-(furan-3-ylmethyl)piperidin-4-amine?
The InChIKey is UUQKREJJCLUXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c17-14-2-1-3-16(10-14)18-15-4-7-19(8-5-15)11-13-6-9-20-12-13/h1-3,6,9-10,12,15,18H,4-5,7-8,11H2.
What are the key properties of N-(3-fluorophenyl)-1-(furan-3-ylmethyl)piperidin-4-amine?
N-(3-fluorophenyl)-1-(furan-3-ylmethyl)piperidin-4-amine has a molecular weight of 274.34 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-1-(furan-3-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 4637579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).