4-[4-(difluoromethoxy)phenoxy]piperidine

C12H15F2NO2 — CID 86685910

IUPAC4-[4-(difluoromethoxy)phenoxy]piperidine
SMILESFC(F)Oc1ccc(OC2CCNCC2)cc1
InChIInChI=1S/C12H15F2NO2/c13-12(14)17-10-3-1-9(2-4-10)16-11-5-7-15-8-6-11/h1-4,11-12,15H,5-8H2
InChIKeyVSXMXGUCZFQLNA-UHFFFAOYSA-N
MW243.25 g/mol
LogP2.42
Rot. Bonds4

About 4-[4-(difluoromethoxy)phenoxy]piperidine

4-[4-(difluoromethoxy)phenoxy]piperidine (PubChem CID 86685910) has the molecular formula C12H15F2NO2 and a molecular weight of 243.25 g/mol. Its IUPAC name is 4-[4-(difluoromethoxy)phenoxy]piperidine.

Molecular Properties

Compound Name4-[4-(difluoromethoxy)phenoxy]piperidine
PubChem CID86685910
Molecular FormulaC12H15F2NO2
Molecular Weight243.25 g/mol
Exact Mass243.11
IUPAC Name4-[4-(difluoromethoxy)phenoxy]piperidine
SMILESFC(F)Oc1ccc(OC2CCNCC2)cc1
InChIInChI=1S/C12H15F2NO2/c13-12(14)17-10-3-1-9(2-4-10)16-11-5-7-15-8-6-11/h1-4,11-12,15H,5-8H2
InChIKeyVSXMXGUCZFQLNA-UHFFFAOYSA-N
XLogP2.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl(3-phenoxypropyl)amine
CID 22067856
(S)-2-((4-phenoxyphenoxy)methyl)piperidine
CID 29293599
(R)-2-((4-phenoxyphenoxy)methyl)piperidine
CID 29293603
(R/S)-2-((4-phenoxyphenoxy)methyl)piperidine
CID 45253769
4-Phenoxypiperidine
CID 18878
[2-(4-Methoxy-phenoxy)-ethyl]-(3-phenoxy-propyl)-amine
CID 10518406
N-methyl-3-(4-phenoxyphenoxy)propan-1-amine;hydrochloride
CID 16735705
(E)-3-fluoro-4-[4-(trifluoromethoxy)phenoxy]but-2-en-1-amine
CID 42623611
(E)-3-fluoro-4-(4-methoxyphenoxy)but-2-en-1-amine
CID 42624091
(S)-2-((4-(4-fluorophenoxy)phenoxy)methyl)piperidine
CID 46888145
4-(4-Methoxyphenoxy)piperidine
CID 3409233
2-(Phenoxymethyl)morpholine
CID 22011795

Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethoxy)phenoxy]piperidine?
The IUPAC name of 4-[4-(difluoromethoxy)phenoxy]piperidine (CID 86685910) is 4-[4-(difluoromethoxy)phenoxy]piperidine.
What is the SMILES notation for 4-[4-(difluoromethoxy)phenoxy]piperidine?
The canonical SMILES for 4-[4-(difluoromethoxy)phenoxy]piperidine is FC(F)Oc1ccc(OC2CCNCC2)cc1.
What is the InChIKey of 4-[4-(difluoromethoxy)phenoxy]piperidine?
The InChIKey is VSXMXGUCZFQLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2/c13-12(14)17-10-3-1-9(2-4-10)16-11-5-7-15-8-6-11/h1-4,11-12,15H,5-8H2.
What are the key properties of 4-[4-(difluoromethoxy)phenoxy]piperidine?
4-[4-(difluoromethoxy)phenoxy]piperidine has a molecular weight of 243.25 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethoxy)phenoxy]piperidine is sourced from PubChem (CID 86685910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).