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

C25H23F3N2O3 — CID 23635636

IUPAC[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-benzylpiperidine-1-carboxylate
SMILESO=C(Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C25H23F3N2O3/c26-25(27,28)20-6-11-23(29-17-20)32-21-7-9-22(10-8-21)33-24(31)30-14-12-19(13-15-30)16-18-4-2-1-3-5-18/h1-11,17,19H,12-16H2
InChIKeySCYVOHCPYWNUPP-UHFFFAOYSA-N
MW456.46 g/mol
LogP6.35
Rot. Bonds5

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

[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-benzylpiperidine-1-carboxylate (PubChem CID 23635636) has the molecular formula C25H23F3N2O3 and a molecular weight of 456.46 g/mol. Its IUPAC name is [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-benzylpiperidine-1-carboxylate.

Molecular Properties

Compound Name[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-benzylpiperidine-1-carboxylate
PubChem CID23635636
Molecular FormulaC25H23F3N2O3
Molecular Weight456.46 g/mol
Exact Mass456.17
IUPAC Name[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-benzylpiperidine-1-carboxylate
SMILESO=C(Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C25H23F3N2O3/c26-25(27,28)20-6-11-23(29-17-20)32-21-7-9-22(10-8-21)33-24(31)30-14-12-19(13-15-30)16-18-4-2-1-3-5-18/h1-11,17,19H,12-16H2
InChIKeySCYVOHCPYWNUPP-UHFFFAOYSA-N
XLogP6.35
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.46
LogP ≤ 56.35
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-benzylpiperidine-1-carboxylate?
The IUPAC name of [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-benzylpiperidine-1-carboxylate (CID 23635636) is [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-benzylpiperidine-1-carboxylate.
What is the SMILES notation for [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-benzylpiperidine-1-carboxylate?
The canonical SMILES for [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-benzylpiperidine-1-carboxylate is O=C(Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-benzylpiperidine-1-carboxylate?
The InChIKey is SCYVOHCPYWNUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N2O3/c26-25(27,28)20-6-11-23(29-17-20)32-21-7-9-22(10-8-21)33-24(31)30-14-12-19(13-15-30)16-18-4-2-1-3-5-18/h1-11,17,19H,12-16H2.
What are the key properties of [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-benzylpiperidine-1-carboxylate?
[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-benzylpiperidine-1-carboxylate has a molecular weight of 456.46 g/mol, XLogP of 6.35, 5 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-benzylpiperidine-1-carboxylate is sourced from PubChem (CID 23635636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).