4-[difluoro-(4-methoxyphenyl)methyl]piperidine

C13H17F2NO — CID 84728173

IUPAC4-[difluoro-(4-methoxyphenyl)methyl]piperidine
SMILESCOc1ccc(C(F)(F)C2CCNCC2)cc1
InChIInChI=1S/C13H17F2NO/c1-17-12-4-2-10(3-5-12)13(14,15)11-6-8-16-9-7-11/h2-5,11,16H,6-9H2,1H3
InChIKeyCDOZXOPLXPUVOA-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.79
Rot. Bonds3

About 4-[difluoro-(4-methoxyphenyl)methyl]piperidine

4-[difluoro-(4-methoxyphenyl)methyl]piperidine (PubChem CID 84728173) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 4-[difluoro-(4-methoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[difluoro-(4-methoxyphenyl)methyl]piperidine
PubChem CID84728173
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name4-[difluoro-(4-methoxyphenyl)methyl]piperidine
SMILESCOc1ccc(C(F)(F)C2CCNCC2)cc1
InChIInChI=1S/C13H17F2NO/c1-17-12-4-2-10(3-5-12)13(14,15)11-6-8-16-9-7-11/h2-5,11,16H,6-9H2,1H3
InChIKeyCDOZXOPLXPUVOA-UHFFFAOYSA-N
XLogP2.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[difluoro-(4-methoxyphenyl)methyl]piperidine?
The IUPAC name of 4-[difluoro-(4-methoxyphenyl)methyl]piperidine (CID 84728173) is 4-[difluoro-(4-methoxyphenyl)methyl]piperidine.
What is the SMILES notation for 4-[difluoro-(4-methoxyphenyl)methyl]piperidine?
The canonical SMILES for 4-[difluoro-(4-methoxyphenyl)methyl]piperidine is COc1ccc(C(F)(F)C2CCNCC2)cc1.
What is the InChIKey of 4-[difluoro-(4-methoxyphenyl)methyl]piperidine?
The InChIKey is CDOZXOPLXPUVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-17-12-4-2-10(3-5-12)13(14,15)11-6-8-16-9-7-11/h2-5,11,16H,6-9H2,1H3.
What are the key properties of 4-[difluoro-(4-methoxyphenyl)methyl]piperidine?
4-[difluoro-(4-methoxyphenyl)methyl]piperidine has a molecular weight of 241.28 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[difluoro-(4-methoxyphenyl)methyl]piperidine is sourced from PubChem (CID 84728173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).