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

C18H17F3N2O3 — CID 23635895

IUPAC[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] piperidine-1-carboxylate
SMILESO=C(Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)N1CCCCC1
InChIInChI=1S/C18H17F3N2O3/c19-18(20,21)13-4-9-16(22-12-13)25-14-5-7-15(8-6-14)26-17(24)23-10-2-1-3-11-23/h4-9,12H,1-3,10-11H2
InChIKeyPWTSFLUGJNLKKD-UHFFFAOYSA-N
MW366.34 g/mol
LogP4.88
Rot. Bonds3

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

[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] piperidine-1-carboxylate (PubChem CID 23635895) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] piperidine-1-carboxylate.

Molecular Properties

Compound Name[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] piperidine-1-carboxylate
PubChem CID23635895
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC Name[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] piperidine-1-carboxylate
SMILESO=C(Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)N1CCCCC1
InChIInChI=1S/C18H17F3N2O3/c19-18(20,21)13-4-9-16(22-12-13)25-14-5-7-15(8-6-14)26-17(24)23-10-2-1-3-11-23/h4-9,12H,1-3,10-11H2
InChIKeyPWTSFLUGJNLKKD-UHFFFAOYSA-N
XLogP4.88
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 54.88
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] piperidine-1-carboxylate?
The IUPAC name of [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] piperidine-1-carboxylate (CID 23635895) is [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] piperidine-1-carboxylate.
What is the SMILES notation for [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] piperidine-1-carboxylate?
The canonical SMILES for [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] piperidine-1-carboxylate is O=C(Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)N1CCCCC1.
What is the InChIKey of [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] piperidine-1-carboxylate?
The InChIKey is PWTSFLUGJNLKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c19-18(20,21)13-4-9-16(22-12-13)25-14-5-7-15(8-6-14)26-17(24)23-10-2-1-3-11-23/h4-9,12H,1-3,10-11H2.
What are the key properties of [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] piperidine-1-carboxylate?
[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] piperidine-1-carboxylate has a molecular weight of 366.34 g/mol, XLogP of 4.88, 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] piperidine-1-carboxylate is sourced from PubChem (CID 23635895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).