4-[4-[3-(3,5-difluorophenoxy)propoxy]phenyl]piperidine

C20H23F2NO2 — CID 67598806

IUPAC4-[4-[3-(3,5-difluorophenoxy)propoxy]phenyl]piperidine
SMILESFc1cc(F)cc(OCCCOc2ccc(C3CCNCC3)cc2)c1
InChIInChI=1S/C20H23F2NO2/c21-17-12-18(22)14-20(13-17)25-11-1-10-24-19-4-2-15(3-5-19)16-6-8-23-9-7-16/h2-5,12-14,16,23H,1,6-11H2
InChIKeySJNABRLPIWJVLX-UHFFFAOYSA-N
MW347.41 g/mol
LogP4.28
Rot. Bonds7

About 4-[4-[3-(3,5-difluorophenoxy)propoxy]phenyl]piperidine

4-[4-[3-(3,5-difluorophenoxy)propoxy]phenyl]piperidine (PubChem CID 67598806) has the molecular formula C20H23F2NO2 and a molecular weight of 347.41 g/mol. Its IUPAC name is 4-[4-[3-(3,5-difluorophenoxy)propoxy]phenyl]piperidine.

Molecular Properties

Compound Name4-[4-[3-(3,5-difluorophenoxy)propoxy]phenyl]piperidine
PubChem CID67598806
Molecular FormulaC20H23F2NO2
Molecular Weight347.41 g/mol
Exact Mass347.17
IUPAC Name4-[4-[3-(3,5-difluorophenoxy)propoxy]phenyl]piperidine
SMILESFc1cc(F)cc(OCCCOc2ccc(C3CCNCC3)cc2)c1
InChIInChI=1S/C20H23F2NO2/c21-17-12-18(22)14-20(13-17)25-11-1-10-24-19-4-2-15(3-5-19)16-6-8-23-9-7-16/h2-5,12-14,16,23H,1,6-11H2
InChIKeySJNABRLPIWJVLX-UHFFFAOYSA-N
XLogP4.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(3,5-difluorophenoxy)propoxy]phenyl]piperidine?
The IUPAC name of 4-[4-[3-(3,5-difluorophenoxy)propoxy]phenyl]piperidine (CID 67598806) is 4-[4-[3-(3,5-difluorophenoxy)propoxy]phenyl]piperidine.
What is the SMILES notation for 4-[4-[3-(3,5-difluorophenoxy)propoxy]phenyl]piperidine?
The canonical SMILES for 4-[4-[3-(3,5-difluorophenoxy)propoxy]phenyl]piperidine is Fc1cc(F)cc(OCCCOc2ccc(C3CCNCC3)cc2)c1.
What is the InChIKey of 4-[4-[3-(3,5-difluorophenoxy)propoxy]phenyl]piperidine?
The InChIKey is SJNABRLPIWJVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2NO2/c21-17-12-18(22)14-20(13-17)25-11-1-10-24-19-4-2-15(3-5-19)16-6-8-23-9-7-16/h2-5,12-14,16,23H,1,6-11H2.
What are the key properties of 4-[4-[3-(3,5-difluorophenoxy)propoxy]phenyl]piperidine?
4-[4-[3-(3,5-difluorophenoxy)propoxy]phenyl]piperidine has a molecular weight of 347.41 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(3,5-difluorophenoxy)propoxy]phenyl]piperidine is sourced from PubChem (CID 67598806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).