4-[2-[(2-chloro-6-fluorophenoxy)methyl]phenyl]piperidine

C18H19ClFNO — CID 46214092

IUPAC4-[2-[(2-chloro-6-fluorophenoxy)methyl]phenyl]piperidine
SMILESFc1cccc(Cl)c1OCc1ccccc1C1CCNCC1
InChIInChI=1S/C18H19ClFNO/c19-16-6-3-7-17(20)18(16)22-12-14-4-1-2-5-15(14)13-8-10-21-11-9-13/h1-7,13,21H,8-12H2
InChIKeyXUCUVTHJYRPRQG-UHFFFAOYSA-N
MW319.81 g/mol
LogP4.53
Rot. Bonds4

About 4-[2-[(2-chloro-6-fluorophenoxy)methyl]phenyl]piperidine

4-[2-[(2-chloro-6-fluorophenoxy)methyl]phenyl]piperidine (PubChem CID 46214092) has the molecular formula C18H19ClFNO and a molecular weight of 319.81 g/mol. Its IUPAC name is 4-[2-[(2-chloro-6-fluorophenoxy)methyl]phenyl]piperidine.

Molecular Properties

Compound Name4-[2-[(2-chloro-6-fluorophenoxy)methyl]phenyl]piperidine
PubChem CID46214092
Molecular FormulaC18H19ClFNO
Molecular Weight319.81 g/mol
Exact Mass319.11
IUPAC Name4-[2-[(2-chloro-6-fluorophenoxy)methyl]phenyl]piperidine
SMILESFc1cccc(Cl)c1OCc1ccccc1C1CCNCC1
InChIInChI=1S/C18H19ClFNO/c19-16-6-3-7-17(20)18(16)22-12-14-4-1-2-5-15(14)13-8-10-21-11-9-13/h1-7,13,21H,8-12H2
InChIKeyXUCUVTHJYRPRQG-UHFFFAOYSA-N
XLogP4.53
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 ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-chloro-6-fluorophenoxy)methyl]phenyl]piperidine?
The IUPAC name of 4-[2-[(2-chloro-6-fluorophenoxy)methyl]phenyl]piperidine (CID 46214092) is 4-[2-[(2-chloro-6-fluorophenoxy)methyl]phenyl]piperidine.
What is the SMILES notation for 4-[2-[(2-chloro-6-fluorophenoxy)methyl]phenyl]piperidine?
The canonical SMILES for 4-[2-[(2-chloro-6-fluorophenoxy)methyl]phenyl]piperidine is Fc1cccc(Cl)c1OCc1ccccc1C1CCNCC1.
What is the InChIKey of 4-[2-[(2-chloro-6-fluorophenoxy)methyl]phenyl]piperidine?
The InChIKey is XUCUVTHJYRPRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNO/c19-16-6-3-7-17(20)18(16)22-12-14-4-1-2-5-15(14)13-8-10-21-11-9-13/h1-7,13,21H,8-12H2.
What are the key properties of 4-[2-[(2-chloro-6-fluorophenoxy)methyl]phenyl]piperidine?
4-[2-[(2-chloro-6-fluorophenoxy)methyl]phenyl]piperidine has a molecular weight of 319.81 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-chloro-6-fluorophenoxy)methyl]phenyl]piperidine is sourced from PubChem (CID 46214092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).