3-[4-(difluoromethoxy)phenyl]piperidine

C12H15F2NO — CID 117326655

IUPAC3-[4-(difluoromethoxy)phenyl]piperidine
SMILESFC(F)Oc1ccc(C2CCCNC2)cc1
InChIInChI=1S/C12H15F2NO/c13-12(14)16-11-5-3-9(4-6-11)10-2-1-7-15-8-10/h3-6,10,12,15H,1-2,7-8H2
InChIKeyDFBCARFSIDJOBY-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.76
Rot. Bonds3

About 3-[4-(difluoromethoxy)phenyl]piperidine

3-[4-(difluoromethoxy)phenyl]piperidine (PubChem CID 117326655) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)phenyl]piperidine.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)phenyl]piperidine
PubChem CID117326655
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name3-[4-(difluoromethoxy)phenyl]piperidine
SMILESFC(F)Oc1ccc(C2CCCNC2)cc1
InChIInChI=1S/C12H15F2NO/c13-12(14)16-11-5-3-9(4-6-11)10-2-1-7-15-8-10/h3-6,10,12,15H,1-2,7-8H2
InChIKeyDFBCARFSIDJOBY-UHFFFAOYSA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methoxyphenyl)piperidine
CID 12937920
(2R)-2-[4-(difluoromethoxy)phenyl]morpholine
CID 93302393
3-[4-(2-fluoropropyl)phenyl]piperidine
CID 84687072
3-(4-propan-2-ylphenyl)piperidine
CID 58015975
(3R)-N-[4-(difluoromethoxy)phenyl]piperidine-3-carboxamide
CID 81123871
3-[4-(thietan-3-yl)phenyl]piperidine
CID 115006012
(3R)-3-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 45074264
(3S)-3-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 45074262
3-[4-(1-methoxyethyl)phenyl]piperidine
CID 117313118
3-(4-tert-butylphenyl)piperidine
CID 24904200
3-[4-(piperidin-3-ylmethyl)phenyl]piperidine
CID 116988274
1-[4-[(3S)-piperidin-3-yl]phenyl]ethanol
CID 154574830

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethoxy)phenyl]piperidine?
The IUPAC name of 3-[4-(difluoromethoxy)phenyl]piperidine (CID 117326655) is 3-[4-(difluoromethoxy)phenyl]piperidine.
What is the SMILES notation for 3-[4-(difluoromethoxy)phenyl]piperidine?
The canonical SMILES for 3-[4-(difluoromethoxy)phenyl]piperidine is FC(F)Oc1ccc(C2CCCNC2)cc1.
What is the InChIKey of 3-[4-(difluoromethoxy)phenyl]piperidine?
The InChIKey is DFBCARFSIDJOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c13-12(14)16-11-5-3-9(4-6-11)10-2-1-7-15-8-10/h3-6,10,12,15H,1-2,7-8H2.
What are the key properties of 3-[4-(difluoromethoxy)phenyl]piperidine?
3-[4-(difluoromethoxy)phenyl]piperidine has a molecular weight of 227.25 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethoxy)phenyl]piperidine is sourced from PubChem (CID 117326655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).