4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbaldehyde

C12H13F3N2O2 — CID 175551989

IUPAC4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbaldehyde
SMILESO=CN1CCC(Oc2cc(C(F)(F)F)ccn2)CC1
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)9-1-4-16-11(7-9)19-10-2-5-17(8-18)6-3-10/h1,4,7-8,10H,2-3,5-6H2
InChIKeyFKASCOPWUWSKLI-UHFFFAOYSA-N
MW274.24 g/mol
LogP2.10
Rot. Bonds3

About 4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbaldehyde

4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbaldehyde (PubChem CID 175551989) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is 4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbaldehyde
PubChem CID175551989
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbaldehyde
SMILESO=CN1CCC(Oc2cc(C(F)(F)F)ccn2)CC1
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)9-1-4-16-11(7-9)19-10-2-5-17(8-18)6-3-10/h1,4,7-8,10H,2-3,5-6H2
InChIKeyFKASCOPWUWSKLI-UHFFFAOYSA-N
XLogP2.10
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-piperidin-4-yloxy-4-(trifluoromethyl)pyridine
CID 66330077
2-chloro-1-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethanone
CID 117054478
pyrimidin-2-yl-[(3S)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 100738519
N,N-dimethyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-sulfonamide
CID 91625468
(3R)-N-tert-butyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide
CID 100738596
3-phenylsulfanyl-1-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]propan-1-one
CID 91815788
(4-tert-butylphenyl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 91625430
oxan-4-yl-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 91815793
2-(1-ethylsulfonylazetidin-3-yl)oxy-4-(trifluoromethyl)pyridine
CID 122251618
phenyl-[2-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]phenyl]methanone
CID 91625422
[4-(trifluoromethoxy)phenyl]-[(3R)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 100738209
furan-2-yl-[(3S)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 100737713

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbaldehyde?
The IUPAC name of 4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbaldehyde (CID 175551989) is 4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbaldehyde.
What is the SMILES notation for 4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbaldehyde?
The canonical SMILES for 4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbaldehyde is O=CN1CCC(Oc2cc(C(F)(F)F)ccn2)CC1.
What is the InChIKey of 4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbaldehyde?
The InChIKey is FKASCOPWUWSKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c13-12(14,15)9-1-4-16-11(7-9)19-10-2-5-17(8-18)6-3-10/h1,4,7-8,10H,2-3,5-6H2.
What are the key properties of 4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbaldehyde?
4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbaldehyde has a molecular weight of 274.24 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbaldehyde is sourced from PubChem (CID 175551989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).