4-[(4-chlorophenyl)-(2-fluorophenyl)methoxy]piperidine

C18H19ClFNO — CID 70647885

IUPAC4-[(4-chlorophenyl)-(2-fluorophenyl)methoxy]piperidine
SMILESFc1ccccc1C(OC1CCNCC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClFNO/c19-14-7-5-13(6-8-14)18(16-3-1-2-4-17(16)20)22-15-9-11-21-12-10-15/h1-8,15,18,21H,9-12H2
InChIKeyNDIMPMRTGASVNT-UHFFFAOYSA-N
MW319.81 g/mol
LogP4.34
Rot. Bonds4

About 4-[(4-chlorophenyl)-(2-fluorophenyl)methoxy]piperidine

4-[(4-chlorophenyl)-(2-fluorophenyl)methoxy]piperidine (PubChem CID 70647885) has the molecular formula C18H19ClFNO and a molecular weight of 319.81 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)-(2-fluorophenyl)methoxy]piperidine.

Molecular Properties

Compound Name4-[(4-chlorophenyl)-(2-fluorophenyl)methoxy]piperidine
PubChem CID70647885
Molecular FormulaC18H19ClFNO
Molecular Weight319.81 g/mol
Exact Mass319.11
IUPAC Name4-[(4-chlorophenyl)-(2-fluorophenyl)methoxy]piperidine
SMILESFc1ccccc1C(OC1CCNCC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClFNO/c19-14-7-5-13(6-8-14)18(16-3-1-2-4-17(16)20)22-15-9-11-21-12-10-15/h1-8,15,18,21H,9-12H2
InChIKeyNDIMPMRTGASVNT-UHFFFAOYSA-N
XLogP4.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)-(2-fluorophenyl)methoxy]piperidine?
The IUPAC name of 4-[(4-chlorophenyl)-(2-fluorophenyl)methoxy]piperidine (CID 70647885) is 4-[(4-chlorophenyl)-(2-fluorophenyl)methoxy]piperidine.
What is the SMILES notation for 4-[(4-chlorophenyl)-(2-fluorophenyl)methoxy]piperidine?
The canonical SMILES for 4-[(4-chlorophenyl)-(2-fluorophenyl)methoxy]piperidine is Fc1ccccc1C(OC1CCNCC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)-(2-fluorophenyl)methoxy]piperidine?
The InChIKey is NDIMPMRTGASVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNO/c19-14-7-5-13(6-8-14)18(16-3-1-2-4-17(16)20)22-15-9-11-21-12-10-15/h1-8,15,18,21H,9-12H2.
What are the key properties of 4-[(4-chlorophenyl)-(2-fluorophenyl)methoxy]piperidine?
4-[(4-chlorophenyl)-(2-fluorophenyl)methoxy]piperidine has a molecular weight of 319.81 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)-(2-fluorophenyl)methoxy]piperidine is sourced from PubChem (CID 70647885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).