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

C13H14F3NO — CID 55100938

IUPAC1-[4-(trifluoromethyl)phenyl]piperidine-4-carbaldehyde
SMILESO=CC1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C13H14F3NO/c14-13(15,16)11-1-3-12(4-2-11)17-7-5-10(9-18)6-8-17/h1-4,9-10H,5-8H2
InChIKeyWHWYRVRUKOETED-UHFFFAOYSA-N
MW257.25 g/mol
LogP3.12
Rot. Bonds2

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

1-[4-(trifluoromethyl)phenyl]piperidine-4-carbaldehyde (PubChem CID 55100938) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)phenyl]piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)phenyl]piperidine-4-carbaldehyde
PubChem CID55100938
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name1-[4-(trifluoromethyl)phenyl]piperidine-4-carbaldehyde
SMILESO=CC1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C13H14F3NO/c14-13(15,16)11-1-3-12(4-2-11)17-7-5-10(9-18)6-8-17/h1-4,9-10H,5-8H2
InChIKeyWHWYRVRUKOETED-UHFFFAOYSA-N
XLogP3.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)phenyl]piperidine-4-carbaldehyde?
The IUPAC name of 1-[4-(trifluoromethyl)phenyl]piperidine-4-carbaldehyde (CID 55100938) is 1-[4-(trifluoromethyl)phenyl]piperidine-4-carbaldehyde.
What is the SMILES notation for 1-[4-(trifluoromethyl)phenyl]piperidine-4-carbaldehyde?
The canonical SMILES for 1-[4-(trifluoromethyl)phenyl]piperidine-4-carbaldehyde is O=CC1CCN(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 1-[4-(trifluoromethyl)phenyl]piperidine-4-carbaldehyde?
The InChIKey is WHWYRVRUKOETED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO/c14-13(15,16)11-1-3-12(4-2-11)17-7-5-10(9-18)6-8-17/h1-4,9-10H,5-8H2.
What are the key properties of 1-[4-(trifluoromethyl)phenyl]piperidine-4-carbaldehyde?
1-[4-(trifluoromethyl)phenyl]piperidine-4-carbaldehyde has a molecular weight of 257.25 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)phenyl]piperidine-4-carbaldehyde is sourced from PubChem (CID 55100938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).