4-[4-(trifluoromethyl)phenyl]piperidine-1-carbaldehyde

C13H14F3NO — CID 23081177

IUPAC4-[4-(trifluoromethyl)phenyl]piperidine-1-carbaldehyde
SMILESO=CN1CCC(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C13H14F3NO/c14-13(15,16)12-3-1-10(2-4-12)11-5-7-17(9-18)8-6-11/h1-4,9,11H,5-8H2
InChIKeyQCALPDXBUJNZJO-UHFFFAOYSA-N
MW257.25 g/mol
LogP3.04
Rot. Bonds2

About 4-[4-(trifluoromethyl)phenyl]piperidine-1-carbaldehyde

4-[4-(trifluoromethyl)phenyl]piperidine-1-carbaldehyde (PubChem CID 23081177) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)phenyl]piperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)phenyl]piperidine-1-carbaldehyde
PubChem CID23081177
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name4-[4-(trifluoromethyl)phenyl]piperidine-1-carbaldehyde
SMILESO=CN1CCC(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C13H14F3NO/c14-13(15,16)12-3-1-10(2-4-12)11-5-7-17(9-18)8-6-11/h1-4,9,11H,5-8H2
InChIKeyQCALPDXBUJNZJO-UHFFFAOYSA-N
XLogP3.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(4-Fluorophenyl)methyl]piperidin-1-yl]ethanone
CID 21133880
1-Propyl-4-[4-(trifluoromethyl)phenyl]piperidine
CID 57387303
1-(4-Benzylpiperidin-1-yl)-2,2,2-trifluoroethanone
CID 897795
SMARt751
CID 90254017
N-formyl-4-(diphenylmethyl)piperidine
CID 13093871
Tert-butyl 4-[4-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 11301928
1-(tert-Butoxycarbonyl)-3-(4-(trifluoromethyl)phenyl)piperidine
CID 102106849
4-(Phenylmethyl)-1-piperidinecarbonyl chloride
CID 18328685
3-[2-(2,6-Difluorophenyl)ethyl]-1-(4,4,4-trifluorobutanoyl)piperidine
CID 45221251
N,N-dimethyl-3-{2-[2-(trifluoromethyl)phenyl]ethyl}-1-piperidinecarboxamide
CID 56898374
1-Piperidin-1-yl-9-[4-(trifluoromethyl)phenyl]nonan-1-one
CID 171357219
1-[4-[2-(Trifluoromethyl)phenyl]piperidin-1-yl]ethanone
CID 71654429

Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)phenyl]piperidine-1-carbaldehyde?
The IUPAC name of 4-[4-(trifluoromethyl)phenyl]piperidine-1-carbaldehyde (CID 23081177) is 4-[4-(trifluoromethyl)phenyl]piperidine-1-carbaldehyde.
What is the SMILES notation for 4-[4-(trifluoromethyl)phenyl]piperidine-1-carbaldehyde?
The canonical SMILES for 4-[4-(trifluoromethyl)phenyl]piperidine-1-carbaldehyde is O=CN1CCC(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 4-[4-(trifluoromethyl)phenyl]piperidine-1-carbaldehyde?
The InChIKey is QCALPDXBUJNZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO/c14-13(15,16)12-3-1-10(2-4-12)11-5-7-17(9-18)8-6-11/h1-4,9,11H,5-8H2.
What are the key properties of 4-[4-(trifluoromethyl)phenyl]piperidine-1-carbaldehyde?
4-[4-(trifluoromethyl)phenyl]piperidine-1-carbaldehyde has a molecular weight of 257.25 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)phenyl]piperidine-1-carbaldehyde is sourced from PubChem (CID 23081177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).