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

C19H19F3N2O3 — CID 23636022

IUPAC[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 2-methylpiperidine-1-carboxylate
SMILESCC1CCCCN1C(=O)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C19H19F3N2O3/c1-13-4-2-3-11-24(13)18(25)27-16-8-6-15(7-9-16)26-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,2-4,11H2,1H3
InChIKeySKSNFGQWBQVOEF-UHFFFAOYSA-N
MW380.37 g/mol
LogP5.27
Rot. Bonds3

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

[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 2-methylpiperidine-1-carboxylate (PubChem CID 23636022) 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] 2-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Name[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 2-methylpiperidine-1-carboxylate
PubChem CID23636022
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC Name[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 2-methylpiperidine-1-carboxylate
SMILESCC1CCCCN1C(=O)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C19H19F3N2O3/c1-13-4-2-3-11-24(13)18(25)27-16-8-6-15(7-9-16)26-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,2-4,11H2,1H3
InChIKeySKSNFGQWBQVOEF-UHFFFAOYSA-N
XLogP5.27
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 ≤ 55.27
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] 2-methylpiperidine-1-carboxylate?
The IUPAC name of [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 2-methylpiperidine-1-carboxylate (CID 23636022) is [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 2-methylpiperidine-1-carboxylate.
What is the SMILES notation for [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 2-methylpiperidine-1-carboxylate?
The canonical SMILES for [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 2-methylpiperidine-1-carboxylate is CC1CCCCN1C(=O)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 2-methylpiperidine-1-carboxylate?
The InChIKey is SKSNFGQWBQVOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c1-13-4-2-3-11-24(13)18(25)27-16-8-6-15(7-9-16)26-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,2-4,11H2,1H3.
What are the key properties of [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 2-methylpiperidine-1-carboxylate?
[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 2-methylpiperidine-1-carboxylate has a molecular weight of 380.37 g/mol, XLogP of 5.27, 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] 2-methylpiperidine-1-carboxylate is sourced from PubChem (CID 23636022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).