3,3-difluoro-4-[(4-methoxyphenyl)methyl]piperidine

C13H17F2NO — CID 84702585

IUPAC3,3-difluoro-4-[(4-methoxyphenyl)methyl]piperidine
SMILESCOc1ccc(CC2CCNCC2(F)F)cc1
InChIInChI=1S/C13H17F2NO/c1-17-12-4-2-10(3-5-12)8-11-6-7-16-9-13(11,14)15/h2-5,11,16H,6-9H2,1H3
InChIKeyIRLZOCLCBCBARA-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.48
Rot. Bonds3

About 3,3-difluoro-4-[(4-methoxyphenyl)methyl]piperidine

3,3-difluoro-4-[(4-methoxyphenyl)methyl]piperidine (PubChem CID 84702585) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 3,3-difluoro-4-[(4-methoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name3,3-difluoro-4-[(4-methoxyphenyl)methyl]piperidine
PubChem CID84702585
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name3,3-difluoro-4-[(4-methoxyphenyl)methyl]piperidine
SMILESCOc1ccc(CC2CCNCC2(F)F)cc1
InChIInChI=1S/C13H17F2NO/c1-17-12-4-2-10(3-5-12)8-11-6-7-16-9-13(11,14)15/h2-5,11,16H,6-9H2,1H3
InChIKeyIRLZOCLCBCBARA-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-[(4-methoxyphenyl)methyl]piperidine?
The IUPAC name of 3,3-difluoro-4-[(4-methoxyphenyl)methyl]piperidine (CID 84702585) is 3,3-difluoro-4-[(4-methoxyphenyl)methyl]piperidine.
What is the SMILES notation for 3,3-difluoro-4-[(4-methoxyphenyl)methyl]piperidine?
The canonical SMILES for 3,3-difluoro-4-[(4-methoxyphenyl)methyl]piperidine is COc1ccc(CC2CCNCC2(F)F)cc1.
What is the InChIKey of 3,3-difluoro-4-[(4-methoxyphenyl)methyl]piperidine?
The InChIKey is IRLZOCLCBCBARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-17-12-4-2-10(3-5-12)8-11-6-7-16-9-13(11,14)15/h2-5,11,16H,6-9H2,1H3.
What are the key properties of 3,3-difluoro-4-[(4-methoxyphenyl)methyl]piperidine?
3,3-difluoro-4-[(4-methoxyphenyl)methyl]piperidine has a molecular weight of 241.28 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-[(4-methoxyphenyl)methyl]piperidine is sourced from PubChem (CID 84702585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).