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

C19H19F3N2O3 — CID 23635635

IUPAC[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-methylpiperidine-1-carboxylate
SMILESCC1CCN(C(=O)Oc2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)CC1
InChIInChI=1S/C19H19F3N2O3/c1-13-8-10-24(11-9-13)18(25)27-16-5-3-15(4-6-16)26-17-7-2-14(12-23-17)19(20,21)22/h2-7,12-13H,8-11H2,1H3
InChIKeyICPISJSNNMUVSU-UHFFFAOYSA-N
MW380.37 g/mol
LogP5.12
Rot. Bonds3

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

[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-methylpiperidine-1-carboxylate (PubChem CID 23635635) 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] 4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Name[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-methylpiperidine-1-carboxylate
PubChem CID23635635
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC Name[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-methylpiperidine-1-carboxylate
SMILESCC1CCN(C(=O)Oc2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)CC1
InChIInChI=1S/C19H19F3N2O3/c1-13-8-10-24(11-9-13)18(25)27-16-5-3-15(4-6-16)26-17-7-2-14(12-23-17)19(20,21)22/h2-7,12-13H,8-11H2,1H3
InChIKeyICPISJSNNMUVSU-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] 4-methylpiperidine-1-carboxylate?
The IUPAC name of [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-methylpiperidine-1-carboxylate (CID 23635635) is [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-methylpiperidine-1-carboxylate.
What is the SMILES notation for [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-methylpiperidine-1-carboxylate?
The canonical SMILES for [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-methylpiperidine-1-carboxylate is CC1CCN(C(=O)Oc2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)CC1.
What is the InChIKey of [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-methylpiperidine-1-carboxylate?
The InChIKey is ICPISJSNNMUVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c1-13-8-10-24(11-9-13)18(25)27-16-5-3-15(4-6-16)26-17-7-2-14(12-23-17)19(20,21)22/h2-7,12-13H,8-11H2,1H3.
What are the key properties of [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-methylpiperidine-1-carboxylate?
[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-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] 4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 23635635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).