[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 3-methylpiperidine-1-carboxylate

C19H19F3N2O3 — CID 23635634

IUPAC[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 3-methylpiperidine-1-carboxylate
SMILESCC1CCCN(C(=O)Oc2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)C1
InChIInChI=1S/C19H19F3N2O3/c1-13-3-2-10-24(12-13)18(25)27-16-7-5-15(6-8-16)26-17-9-4-14(11-23-17)19(20,21)22/h4-9,11,13H,2-3,10,12H2,1H3
InChIKeyIIGYWSUEVKPLJQ-UHFFFAOYSA-N
MW380.37 g/mol
LogP5.12
Rot. Bonds3

About [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 3-methylpiperidine-1-carboxylate

[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 3-methylpiperidine-1-carboxylate (PubChem CID 23635634) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 3-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Name[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 3-methylpiperidine-1-carboxylate
PubChem CID23635634
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC Name[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 3-methylpiperidine-1-carboxylate
SMILESCC1CCCN(C(=O)Oc2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)C1
InChIInChI=1S/C19H19F3N2O3/c1-13-3-2-10-24(12-13)18(25)27-16-7-5-15(6-8-16)26-17-9-4-14(11-23-17)19(20,21)22/h4-9,11,13H,2-3,10,12H2,1H3
InChIKeyIIGYWSUEVKPLJQ-UHFFFAOYSA-N
XLogP5.12
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.37
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 3-methylpiperidine-1-carboxylate?
The IUPAC name of [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 3-methylpiperidine-1-carboxylate (CID 23635634) is [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 3-methylpiperidine-1-carboxylate.
What is the SMILES notation for [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 3-methylpiperidine-1-carboxylate?
The canonical SMILES for [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 3-methylpiperidine-1-carboxylate is CC1CCCN(C(=O)Oc2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)C1.
What is the InChIKey of [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 3-methylpiperidine-1-carboxylate?
The InChIKey is IIGYWSUEVKPLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c1-13-3-2-10-24(12-13)18(25)27-16-7-5-15(6-8-16)26-17-9-4-14(11-23-17)19(20,21)22/h4-9,11,13H,2-3,10,12H2,1H3.
What are the key properties of [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 3-methylpiperidine-1-carboxylate?
[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 3-methylpiperidine-1-carboxylate has a molecular weight of 380.37 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 3-methylpiperidine-1-carboxylate is sourced from PubChem (CID 23635634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).