1-[2-(1-fluorocyclohexa-2,4-dien-1-yl)ethyl]piperidine-4-carbaldehyde

C14H20FNO — CID 86584405

IUPAC1-[2-(1-fluorocyclohexa-2,4-dien-1-yl)ethyl]piperidine-4-carbaldehyde
SMILESO=CC1CCN(CCC2(F)C=CC=CC2)CC1
InChIInChI=1S/C14H20FNO/c15-14(6-2-1-3-7-14)8-11-16-9-4-13(12-17)5-10-16/h1-3,6,12-13H,4-5,7-11H2
InChIKeyYCQUNWLTSIYVTP-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.51
Rot. Bonds4

About 1-[2-(1-fluorocyclohexa-2,4-dien-1-yl)ethyl]piperidine-4-carbaldehyde

1-[2-(1-fluorocyclohexa-2,4-dien-1-yl)ethyl]piperidine-4-carbaldehyde (PubChem CID 86584405) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-[2-(1-fluorocyclohexa-2,4-dien-1-yl)ethyl]piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-[2-(1-fluorocyclohexa-2,4-dien-1-yl)ethyl]piperidine-4-carbaldehyde
PubChem CID86584405
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name1-[2-(1-fluorocyclohexa-2,4-dien-1-yl)ethyl]piperidine-4-carbaldehyde
SMILESO=CC1CCN(CCC2(F)C=CC=CC2)CC1
InChIInChI=1S/C14H20FNO/c15-14(6-2-1-3-7-14)8-11-16-9-4-13(12-17)5-10-16/h1-3,6,12-13H,4-5,7-11H2
InChIKeyYCQUNWLTSIYVTP-UHFFFAOYSA-N
XLogP2.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.51
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-[2-(1-fluorocyclohexa-2,4-dien-1-yl)ethyl]piperidine-4-carbaldehyde?
The IUPAC name of 1-[2-(1-fluorocyclohexa-2,4-dien-1-yl)ethyl]piperidine-4-carbaldehyde (CID 86584405) is 1-[2-(1-fluorocyclohexa-2,4-dien-1-yl)ethyl]piperidine-4-carbaldehyde.
What is the SMILES notation for 1-[2-(1-fluorocyclohexa-2,4-dien-1-yl)ethyl]piperidine-4-carbaldehyde?
The canonical SMILES for 1-[2-(1-fluorocyclohexa-2,4-dien-1-yl)ethyl]piperidine-4-carbaldehyde is O=CC1CCN(CCC2(F)C=CC=CC2)CC1.
What is the InChIKey of 1-[2-(1-fluorocyclohexa-2,4-dien-1-yl)ethyl]piperidine-4-carbaldehyde?
The InChIKey is YCQUNWLTSIYVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c15-14(6-2-1-3-7-14)8-11-16-9-4-13(12-17)5-10-16/h1-3,6,12-13H,4-5,7-11H2.
What are the key properties of 1-[2-(1-fluorocyclohexa-2,4-dien-1-yl)ethyl]piperidine-4-carbaldehyde?
1-[2-(1-fluorocyclohexa-2,4-dien-1-yl)ethyl]piperidine-4-carbaldehyde has a molecular weight of 237.32 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-fluorocyclohexa-2,4-dien-1-yl)ethyl]piperidine-4-carbaldehyde is sourced from PubChem (CID 86584405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).