(1R)-2-(2,5-difluorophenyl)-1-[1-(6-fluoro-3-pyridinyl)piperidin-4-yl]ethanamine

C18H20F3N3 — CID 53318865

IUPAC(1R)-2-(2,5-difluorophenyl)-1-[1-(6-fluoro-3-pyridinyl)piperidin-4-yl]ethanamine
SMILESN[C@H](Cc1cc(F)ccc1F)C1CCN(c2ccc(F)nc2)CC1
InChIInChI=1S/C18H20F3N3/c19-14-1-3-16(20)13(9-14)10-17(22)12-5-7-24(8-6-12)15-2-4-18(21)23-11-15/h1-4,9,11-12,17H,5-8,10,22H2/t17-/m1/s1
InChIKeyQQVUXENLUIUCMJ-QGZVFWFLSA-N
MW335.37 g/mol
LogP3.29
Rot. Bonds4

About (1R)-2-(2,5-difluorophenyl)-1-[1-(6-fluoro-3-pyridinyl)piperidin-4-yl]ethanamine

(1R)-2-(2,5-difluorophenyl)-1-[1-(6-fluoro-3-pyridinyl)piperidin-4-yl]ethanamine (PubChem CID 53318865) has the molecular formula C18H20F3N3 and a molecular weight of 335.37 g/mol. Its IUPAC name is (1R)-2-(2,5-difluorophenyl)-1-[1-(6-fluoro-3-pyridinyl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name(1R)-2-(2,5-difluorophenyl)-1-[1-(6-fluoro-3-pyridinyl)piperidin-4-yl]ethanamine
PubChem CID53318865
Molecular FormulaC18H20F3N3
Molecular Weight335.37 g/mol
Exact Mass335.16
IUPAC Name(1R)-2-(2,5-difluorophenyl)-1-[1-(6-fluoro-3-pyridinyl)piperidin-4-yl]ethanamine
SMILESN[C@H](Cc1cc(F)ccc1F)C1CCN(c2ccc(F)nc2)CC1
InChIInChI=1S/C18H20F3N3/c19-14-1-3-16(20)13(9-14)10-17(22)12-5-7-24(8-6-12)15-2-4-18(21)23-11-15/h1-4,9,11-12,17H,5-8,10,22H2/t17-/m1/s1
InChIKeyQQVUXENLUIUCMJ-QGZVFWFLSA-N
XLogP3.29
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-(2,5-difluorophenyl)-1-[1-(6-fluoro-3-pyridinyl)piperidin-4-yl]ethanamine?
The IUPAC name of (1R)-2-(2,5-difluorophenyl)-1-[1-(6-fluoro-3-pyridinyl)piperidin-4-yl]ethanamine (CID 53318865) is (1R)-2-(2,5-difluorophenyl)-1-[1-(6-fluoro-3-pyridinyl)piperidin-4-yl]ethanamine.
What is the SMILES notation for (1R)-2-(2,5-difluorophenyl)-1-[1-(6-fluoro-3-pyridinyl)piperidin-4-yl]ethanamine?
The canonical SMILES for (1R)-2-(2,5-difluorophenyl)-1-[1-(6-fluoro-3-pyridinyl)piperidin-4-yl]ethanamine is N[C@H](Cc1cc(F)ccc1F)C1CCN(c2ccc(F)nc2)CC1.
What is the InChIKey of (1R)-2-(2,5-difluorophenyl)-1-[1-(6-fluoro-3-pyridinyl)piperidin-4-yl]ethanamine?
The InChIKey is QQVUXENLUIUCMJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20F3N3/c19-14-1-3-16(20)13(9-14)10-17(22)12-5-7-24(8-6-12)15-2-4-18(21)23-11-15/h1-4,9,11-12,17H,5-8,10,22H2/t17-/m1/s1.
What are the key properties of (1R)-2-(2,5-difluorophenyl)-1-[1-(6-fluoro-3-pyridinyl)piperidin-4-yl]ethanamine?
(1R)-2-(2,5-difluorophenyl)-1-[1-(6-fluoro-3-pyridinyl)piperidin-4-yl]ethanamine has a molecular weight of 335.37 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(2,5-difluorophenyl)-1-[1-(6-fluoro-3-pyridinyl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 53318865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).