1-benzyl-4-[1-(3-fluorophenyl)prop-2-enoxymethyl]piperidine

C22H26FNO — CID 19022851

IUPAC1-benzyl-4-[1-(3-fluorophenyl)prop-2-enoxymethyl]piperidine
SMILESC=CC(OCC1CCN(Cc2ccccc2)CC1)c1cccc(F)c1
InChIInChI=1S/C22H26FNO/c1-2-22(20-9-6-10-21(23)15-20)25-17-19-11-13-24(14-12-19)16-18-7-4-3-5-8-18/h2-10,15,19,22H,1,11-14,16-17H2
InChIKeyOCRKIIPHJOBTFU-UHFFFAOYSA-N
MW339.45 g/mol
LogP4.98
Rot. Bonds7

About 1-benzyl-4-[1-(3-fluorophenyl)prop-2-enoxymethyl]piperidine

1-benzyl-4-[1-(3-fluorophenyl)prop-2-enoxymethyl]piperidine (PubChem CID 19022851) has the molecular formula C22H26FNO and a molecular weight of 339.45 g/mol. Its IUPAC name is 1-benzyl-4-[1-(3-fluorophenyl)prop-2-enoxymethyl]piperidine.

Molecular Properties

Compound Name1-benzyl-4-[1-(3-fluorophenyl)prop-2-enoxymethyl]piperidine
PubChem CID19022851
Molecular FormulaC22H26FNO
Molecular Weight339.45 g/mol
Exact Mass339.20
IUPAC Name1-benzyl-4-[1-(3-fluorophenyl)prop-2-enoxymethyl]piperidine
SMILESC=CC(OCC1CCN(Cc2ccccc2)CC1)c1cccc(F)c1
InChIInChI=1S/C22H26FNO/c1-2-22(20-9-6-10-21(23)15-20)25-17-19-11-13-24(14-12-19)16-18-7-4-3-5-8-18/h2-10,15,19,22H,1,11-14,16-17H2
InChIKeyOCRKIIPHJOBTFU-UHFFFAOYSA-N
XLogP4.98
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[1-(3-fluorophenyl)prop-2-enoxymethyl]piperidine?
The IUPAC name of 1-benzyl-4-[1-(3-fluorophenyl)prop-2-enoxymethyl]piperidine (CID 19022851) is 1-benzyl-4-[1-(3-fluorophenyl)prop-2-enoxymethyl]piperidine.
What is the SMILES notation for 1-benzyl-4-[1-(3-fluorophenyl)prop-2-enoxymethyl]piperidine?
The canonical SMILES for 1-benzyl-4-[1-(3-fluorophenyl)prop-2-enoxymethyl]piperidine is C=CC(OCC1CCN(Cc2ccccc2)CC1)c1cccc(F)c1.
What is the InChIKey of 1-benzyl-4-[1-(3-fluorophenyl)prop-2-enoxymethyl]piperidine?
The InChIKey is OCRKIIPHJOBTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO/c1-2-22(20-9-6-10-21(23)15-20)25-17-19-11-13-24(14-12-19)16-18-7-4-3-5-8-18/h2-10,15,19,22H,1,11-14,16-17H2.
What are the key properties of 1-benzyl-4-[1-(3-fluorophenyl)prop-2-enoxymethyl]piperidine?
1-benzyl-4-[1-(3-fluorophenyl)prop-2-enoxymethyl]piperidine has a molecular weight of 339.45 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[1-(3-fluorophenyl)prop-2-enoxymethyl]piperidine is sourced from PubChem (CID 19022851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).