4-[(4-fluorophenoxy)methyl]-1-[(4-fluorophenyl)methyl]piperidine

C19H21F2NO — CID 10425960

IUPAC4-[(4-fluorophenoxy)methyl]-1-[(4-fluorophenyl)methyl]piperidine
SMILESFc1ccc(CN2CCC(COc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C19H21F2NO/c20-17-3-1-15(2-4-17)13-22-11-9-16(10-12-22)14-23-19-7-5-18(21)6-8-19/h1-8,16H,9-14H2
InChIKeyPYTWTUIMYMLYEF-UHFFFAOYSA-N
MW317.38 g/mol
LogP4.26
Rot. Bonds5

About 4-[(4-fluorophenoxy)methyl]-1-[(4-fluorophenyl)methyl]piperidine

4-[(4-fluorophenoxy)methyl]-1-[(4-fluorophenyl)methyl]piperidine (PubChem CID 10425960) has the molecular formula C19H21F2NO and a molecular weight of 317.38 g/mol. Its IUPAC name is 4-[(4-fluorophenoxy)methyl]-1-[(4-fluorophenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(4-fluorophenoxy)methyl]-1-[(4-fluorophenyl)methyl]piperidine
PubChem CID10425960
Molecular FormulaC19H21F2NO
Molecular Weight317.38 g/mol
Exact Mass317.16
IUPAC Name4-[(4-fluorophenoxy)methyl]-1-[(4-fluorophenyl)methyl]piperidine
SMILESFc1ccc(CN2CCC(COc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C19H21F2NO/c20-17-3-1-15(2-4-17)13-22-11-9-16(10-12-22)14-23-19-7-5-18(21)6-8-19/h1-8,16H,9-14H2
InChIKeyPYTWTUIMYMLYEF-UHFFFAOYSA-N
XLogP4.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenoxy)methyl]-1-[(4-fluorophenyl)methyl]piperidine?
The IUPAC name of 4-[(4-fluorophenoxy)methyl]-1-[(4-fluorophenyl)methyl]piperidine (CID 10425960) is 4-[(4-fluorophenoxy)methyl]-1-[(4-fluorophenyl)methyl]piperidine.
What is the SMILES notation for 4-[(4-fluorophenoxy)methyl]-1-[(4-fluorophenyl)methyl]piperidine?
The canonical SMILES for 4-[(4-fluorophenoxy)methyl]-1-[(4-fluorophenyl)methyl]piperidine is Fc1ccc(CN2CCC(COc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 4-[(4-fluorophenoxy)methyl]-1-[(4-fluorophenyl)methyl]piperidine?
The InChIKey is PYTWTUIMYMLYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO/c20-17-3-1-15(2-4-17)13-22-11-9-16(10-12-22)14-23-19-7-5-18(21)6-8-19/h1-8,16H,9-14H2.
What are the key properties of 4-[(4-fluorophenoxy)methyl]-1-[(4-fluorophenyl)methyl]piperidine?
4-[(4-fluorophenoxy)methyl]-1-[(4-fluorophenyl)methyl]piperidine has a molecular weight of 317.38 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenoxy)methyl]-1-[(4-fluorophenyl)methyl]piperidine is sourced from PubChem (CID 10425960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).