4-[[2-(difluoromethoxy)phenyl]methyl]piperidine

C13H17F2NO — CID 117355180

IUPAC4-[[2-(difluoromethoxy)phenyl]methyl]piperidine
SMILESFC(F)Oc1ccccc1CC1CCNCC1
InChIInChI=1S/C13H17F2NO/c14-13(15)17-12-4-2-1-3-11(12)9-10-5-7-16-8-6-10/h1-4,10,13,16H,5-9H2
InChIKeyIJVSQFCRFUQZAO-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.83
Rot. Bonds4

About 4-[[2-(difluoromethoxy)phenyl]methyl]piperidine

4-[[2-(difluoromethoxy)phenyl]methyl]piperidine (PubChem CID 117355180) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 4-[[2-(difluoromethoxy)phenyl]methyl]piperidine.

Molecular Properties

Compound Name4-[[2-(difluoromethoxy)phenyl]methyl]piperidine
PubChem CID117355180
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name4-[[2-(difluoromethoxy)phenyl]methyl]piperidine
SMILESFC(F)Oc1ccccc1CC1CCNCC1
InChIInChI=1S/C13H17F2NO/c14-13(15)17-12-4-2-1-3-11(12)9-10-5-7-16-8-6-10/h1-4,10,13,16H,5-9H2
InChIKeyIJVSQFCRFUQZAO-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(piperidin-4-ylmethyl)phenoxy]benzonitrile
CID 18669356
2-[2-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119535561
4-[[3-fluoro-2-(2-fluorophenoxy)phenyl]methyl]piperidine
CID 18669380
4-[[2-(3-fluoro-2-methylphenoxy)phenyl]methyl]piperidine
CID 18669393
4-[(2-fluorophenyl)methyl]piperidine;hydrochloride
CID 46172843
1-cyclobutyl-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine
CID 43298345
[2-(piperidin-4-ylmethyl)phenyl]methanamine
CID 105456757
N-[[2-(difluoromethoxy)phenyl]methyl]-N-propylpyrrolidin-3-amine
CID 63300997
4-[[2-(difluoromethyl)-3-fluorophenyl]methyl]piperidine
CID 84801983
4-[[4-fluoro-2-(4-fluorophenoxy)phenyl]methyl]piperidine
CID 18669392
4-[2-(piperidin-4-ylmethyl)phenyl]piperidine
CID 117399981
2-methoxy-6-(piperidin-4-ylmethyl)phenol
CID 117316216

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(difluoromethoxy)phenyl]methyl]piperidine?
The IUPAC name of 4-[[2-(difluoromethoxy)phenyl]methyl]piperidine (CID 117355180) is 4-[[2-(difluoromethoxy)phenyl]methyl]piperidine.
What is the SMILES notation for 4-[[2-(difluoromethoxy)phenyl]methyl]piperidine?
The canonical SMILES for 4-[[2-(difluoromethoxy)phenyl]methyl]piperidine is FC(F)Oc1ccccc1CC1CCNCC1.
What is the InChIKey of 4-[[2-(difluoromethoxy)phenyl]methyl]piperidine?
The InChIKey is IJVSQFCRFUQZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c14-13(15)17-12-4-2-1-3-11(12)9-10-5-7-16-8-6-10/h1-4,10,13,16H,5-9H2.
What are the key properties of 4-[[2-(difluoromethoxy)phenyl]methyl]piperidine?
4-[[2-(difluoromethoxy)phenyl]methyl]piperidine has a molecular weight of 241.28 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(difluoromethoxy)phenyl]methyl]piperidine is sourced from PubChem (CID 117355180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).