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

C16H19FN2O — CID 4675391

IUPACN-(4-fluorophenyl)-1-(furan-3-ylmethyl)piperidin-4-amine
SMILESFc1ccc(NC2CCN(Cc3ccoc3)CC2)cc1
InChIInChI=1S/C16H19FN2O/c17-14-1-3-15(4-2-14)18-16-5-8-19(9-6-16)11-13-7-10-20-12-13/h1-4,7,10,12,16,18H,5-6,8-9,11H2
InChIKeyXQYAJIZPETVQFW-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.50
Rot. Bonds4

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

N-(4-fluorophenyl)-1-(furan-3-ylmethyl)piperidin-4-amine (PubChem CID 4675391) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-(furan-3-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-(furan-3-ylmethyl)piperidin-4-amine
PubChem CID4675391
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC NameN-(4-fluorophenyl)-1-(furan-3-ylmethyl)piperidin-4-amine
SMILESFc1ccc(NC2CCN(Cc3ccoc3)CC2)cc1
InChIInChI=1S/C16H19FN2O/c17-14-1-3-15(4-2-14)18-16-5-8-19(9-6-16)11-13-7-10-20-12-13/h1-4,7,10,12,16,18H,5-6,8-9,11H2
InChIKeyXQYAJIZPETVQFW-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-(4-fluorophenyl)-1-(furan-3-ylmethyl)piperidin-4-amine?
The IUPAC name of N-(4-fluorophenyl)-1-(furan-3-ylmethyl)piperidin-4-amine (CID 4675391) is N-(4-fluorophenyl)-1-(furan-3-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-(4-fluorophenyl)-1-(furan-3-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-(4-fluorophenyl)-1-(furan-3-ylmethyl)piperidin-4-amine is Fc1ccc(NC2CCN(Cc3ccoc3)CC2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-1-(furan-3-ylmethyl)piperidin-4-amine?
The InChIKey is XQYAJIZPETVQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c17-14-1-3-15(4-2-14)18-16-5-8-19(9-6-16)11-13-7-10-20-12-13/h1-4,7,10,12,16,18H,5-6,8-9,11H2.
What are the key properties of N-(4-fluorophenyl)-1-(furan-3-ylmethyl)piperidin-4-amine?
N-(4-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-(4-fluorophenyl)-1-(furan-3-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 4675391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).