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

C18H17F3N2O4 — CID 23635637

IUPAC[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-hydroxypiperidine-1-carboxylate
SMILESO=C(Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)N1CCC(O)CC1
InChIInChI=1S/C18H17F3N2O4/c19-18(20,21)12-1-6-16(22-11-12)26-14-2-4-15(5-3-14)27-17(25)23-9-7-13(24)8-10-23/h1-6,11,13,24H,7-10H2
InChIKeyCKHKKOJRCBFWTB-UHFFFAOYSA-N
MW382.34 g/mol
LogP3.85
Rot. Bonds3

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

[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-hydroxypiperidine-1-carboxylate (PubChem CID 23635637) has the molecular formula C18H17F3N2O4 and a molecular weight of 382.34 g/mol. Its IUPAC name is [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Name[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-hydroxypiperidine-1-carboxylate
PubChem CID23635637
Molecular FormulaC18H17F3N2O4
Molecular Weight382.34 g/mol
Exact Mass382.11
IUPAC Name[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-hydroxypiperidine-1-carboxylate
SMILESO=C(Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)N1CCC(O)CC1
InChIInChI=1S/C18H17F3N2O4/c19-18(20,21)12-1-6-16(22-11-12)26-14-2-4-15(5-3-14)27-17(25)23-9-7-13(24)8-10-23/h1-6,11,13,24H,7-10H2
InChIKeyCKHKKOJRCBFWTB-UHFFFAOYSA-N
XLogP3.85
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-hydroxypiperidine-1-carboxylate?
The IUPAC name of [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-hydroxypiperidine-1-carboxylate (CID 23635637) is [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-hydroxypiperidine-1-carboxylate?
The canonical SMILES for [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-hydroxypiperidine-1-carboxylate is O=C(Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)N1CCC(O)CC1.
What is the InChIKey of [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-hydroxypiperidine-1-carboxylate?
The InChIKey is CKHKKOJRCBFWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O4/c19-18(20,21)12-1-6-16(22-11-12)26-14-2-4-15(5-3-14)27-17(25)23-9-7-13(24)8-10-23/h1-6,11,13,24H,7-10H2.
What are the key properties of [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-hydroxypiperidine-1-carboxylate?
[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-hydroxypiperidine-1-carboxylate has a molecular weight of 382.34 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 23635637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).