N-(1-benzofuran-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine

C20H20F3N3O — CID 119111019

IUPACN-(1-benzofuran-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
SMILESFC(F)(F)c1ccc(N2CCC(NCc3cc4ccccc4o3)CC2)nc1
InChIInChI=1S/C20H20F3N3O/c21-20(22,23)15-5-6-19(25-12-15)26-9-7-16(8-10-26)24-13-17-11-14-3-1-2-4-18(14)27-17/h1-6,11-12,16,24H,7-10,13H2
InChIKeyYZQTXCSTKGSPRK-UHFFFAOYSA-N
MW375.39 g/mol
LogP4.61
Rot. Bonds4

About N-(1-benzofuran-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine

N-(1-benzofuran-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine (PubChem CID 119111019) has the molecular formula C20H20F3N3O and a molecular weight of 375.39 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
PubChem CID119111019
Molecular FormulaC20H20F3N3O
Molecular Weight375.39 g/mol
Exact Mass375.16
IUPAC NameN-(1-benzofuran-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
SMILESFC(F)(F)c1ccc(N2CCC(NCc3cc4ccccc4o3)CC2)nc1
InChIInChI=1S/C20H20F3N3O/c21-20(22,23)15-5-6-19(25-12-15)26-9-7-16(8-10-26)24-13-17-11-14-3-1-2-4-18(14)27-17/h1-6,11-12,16,24H,7-10,13H2
InChIKeyYZQTXCSTKGSPRK-UHFFFAOYSA-N
XLogP4.61
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine (CID 119111019) is N-(1-benzofuran-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine is FC(F)(F)c1ccc(N2CCC(NCc3cc4ccccc4o3)CC2)nc1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine?
The InChIKey is YZQTXCSTKGSPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O/c21-20(22,23)15-5-6-19(25-12-15)26-9-7-16(8-10-26)24-13-17-11-14-3-1-2-4-18(14)27-17/h1-6,11-12,16,24H,7-10,13H2.
What are the key properties of N-(1-benzofuran-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine?
N-(1-benzofuran-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine has a molecular weight of 375.39 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine is sourced from PubChem (CID 119111019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).