4-[(4-fluorophenyl)methoxymethyl]-1-(2-phenylethyl)piperidine

C21H26FNO — CID 10381798

IUPAC4-[(4-fluorophenyl)methoxymethyl]-1-(2-phenylethyl)piperidine
SMILESFc1ccc(COCC2CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C21H26FNO/c22-21-8-6-19(7-9-21)16-24-17-20-11-14-23(15-12-20)13-10-18-4-2-1-3-5-18/h1-9,20H,10-17H2
InChIKeyQXYCLOCXKREGEY-UHFFFAOYSA-N
MW327.44 g/mol
LogP4.30
Rot. Bonds7

About 4-[(4-fluorophenyl)methoxymethyl]-1-(2-phenylethyl)piperidine

4-[(4-fluorophenyl)methoxymethyl]-1-(2-phenylethyl)piperidine (PubChem CID 10381798) has the molecular formula C21H26FNO and a molecular weight of 327.44 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methoxymethyl]-1-(2-phenylethyl)piperidine.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methoxymethyl]-1-(2-phenylethyl)piperidine
PubChem CID10381798
Molecular FormulaC21H26FNO
Molecular Weight327.44 g/mol
Exact Mass327.20
IUPAC Name4-[(4-fluorophenyl)methoxymethyl]-1-(2-phenylethyl)piperidine
SMILESFc1ccc(COCC2CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C21H26FNO/c22-21-8-6-19(7-9-21)16-24-17-20-11-14-23(15-12-20)13-10-18-4-2-1-3-5-18/h1-9,20H,10-17H2
InChIKeyQXYCLOCXKREGEY-UHFFFAOYSA-N
XLogP4.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methoxymethyl]-1-(2-phenylethyl)piperidine?
The IUPAC name of 4-[(4-fluorophenyl)methoxymethyl]-1-(2-phenylethyl)piperidine (CID 10381798) is 4-[(4-fluorophenyl)methoxymethyl]-1-(2-phenylethyl)piperidine.
What is the SMILES notation for 4-[(4-fluorophenyl)methoxymethyl]-1-(2-phenylethyl)piperidine?
The canonical SMILES for 4-[(4-fluorophenyl)methoxymethyl]-1-(2-phenylethyl)piperidine is Fc1ccc(COCC2CCN(CCc3ccccc3)CC2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methoxymethyl]-1-(2-phenylethyl)piperidine?
The InChIKey is QXYCLOCXKREGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FNO/c22-21-8-6-19(7-9-21)16-24-17-20-11-14-23(15-12-20)13-10-18-4-2-1-3-5-18/h1-9,20H,10-17H2.
What are the key properties of 4-[(4-fluorophenyl)methoxymethyl]-1-(2-phenylethyl)piperidine?
4-[(4-fluorophenyl)methoxymethyl]-1-(2-phenylethyl)piperidine has a molecular weight of 327.44 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methoxymethyl]-1-(2-phenylethyl)piperidine is sourced from PubChem (CID 10381798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).