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

C18H16F4N2O2 — CID 2822234

IUPAC(4-fluorophenyl) 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
SMILESO=C(Oc1ccc(F)cc1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C18H16F4N2O2/c19-14-2-4-15(5-3-14)26-17(25)12-7-9-24(10-8-12)16-6-1-13(11-23-16)18(20,21)22/h1-6,11-12H,7-10H2
InChIKeyRCCRJCGVBGYNQC-UHFFFAOYSA-N
MW368.33 g/mol
LogP4.06
Rot. Bonds3

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

(4-fluorophenyl) 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate (PubChem CID 2822234) has the molecular formula C18H16F4N2O2 and a molecular weight of 368.33 g/mol. Its IUPAC name is (4-fluorophenyl) 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate.

Molecular Properties

Compound Name(4-fluorophenyl) 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
PubChem CID2822234
Molecular FormulaC18H16F4N2O2
Molecular Weight368.33 g/mol
Exact Mass368.11
IUPAC Name(4-fluorophenyl) 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
SMILESO=C(Oc1ccc(F)cc1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C18H16F4N2O2/c19-14-2-4-15(5-3-14)26-17(25)12-7-9-24(10-8-12)16-6-1-13(11-23-16)18(20,21)22/h1-6,11-12H,7-10H2
InChIKeyRCCRJCGVBGYNQC-UHFFFAOYSA-N
XLogP4.06
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.33
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate?
The IUPAC name of (4-fluorophenyl) 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate (CID 2822234) is (4-fluorophenyl) 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate.
What is the SMILES notation for (4-fluorophenyl) 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate?
The canonical SMILES for (4-fluorophenyl) 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate is O=C(Oc1ccc(F)cc1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of (4-fluorophenyl) 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate?
The InChIKey is RCCRJCGVBGYNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N2O2/c19-14-2-4-15(5-3-14)26-17(25)12-7-9-24(10-8-12)16-6-1-13(11-23-16)18(20,21)22/h1-6,11-12H,7-10H2.
What are the key properties of (4-fluorophenyl) 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate?
(4-fluorophenyl) 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate has a molecular weight of 368.33 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate is sourced from PubChem (CID 2822234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).