1-[3-(3,4-difluorophenoxy)butyl]piperidine

C15H21F2NO — CID 173309705

IUPAC1-[3-(3,4-difluorophenoxy)butyl]piperidine
SMILESCC(CCN1CCCCC1)Oc1ccc(F)c(F)c1
InChIInChI=1S/C15H21F2NO/c1-12(7-10-18-8-3-2-4-9-18)19-13-5-6-14(16)15(17)11-13/h5-6,11-12H,2-4,7-10H2,1H3
InChIKeyGYGMTDWIJDVINU-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.61
Rot. Bonds5

About 1-[3-(3,4-difluorophenoxy)butyl]piperidine

1-[3-(3,4-difluorophenoxy)butyl]piperidine (PubChem CID 173309705) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 1-[3-(3,4-difluorophenoxy)butyl]piperidine.

Molecular Properties

Compound Name1-[3-(3,4-difluorophenoxy)butyl]piperidine
PubChem CID173309705
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name1-[3-(3,4-difluorophenoxy)butyl]piperidine
SMILESCC(CCN1CCCCC1)Oc1ccc(F)c(F)c1
InChIInChI=1S/C15H21F2NO/c1-12(7-10-18-8-3-2-4-9-18)19-13-5-6-14(16)15(17)11-13/h5-6,11-12H,2-4,7-10H2,1H3
InChIKeyGYGMTDWIJDVINU-UHFFFAOYSA-N
XLogP3.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-difluorophenoxy)butyl]piperidine?
The IUPAC name of 1-[3-(3,4-difluorophenoxy)butyl]piperidine (CID 173309705) is 1-[3-(3,4-difluorophenoxy)butyl]piperidine.
What is the SMILES notation for 1-[3-(3,4-difluorophenoxy)butyl]piperidine?
The canonical SMILES for 1-[3-(3,4-difluorophenoxy)butyl]piperidine is CC(CCN1CCCCC1)Oc1ccc(F)c(F)c1.
What is the InChIKey of 1-[3-(3,4-difluorophenoxy)butyl]piperidine?
The InChIKey is GYGMTDWIJDVINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-12(7-10-18-8-3-2-4-9-18)19-13-5-6-14(16)15(17)11-13/h5-6,11-12H,2-4,7-10H2,1H3.
What are the key properties of 1-[3-(3,4-difluorophenoxy)butyl]piperidine?
1-[3-(3,4-difluorophenoxy)butyl]piperidine has a molecular weight of 269.33 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-difluorophenoxy)butyl]piperidine is sourced from PubChem (CID 173309705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).