3-[difluoro-(2-methoxyphenyl)methyl]piperidine

C13H17F2NO — CID 84728168

IUPAC3-[difluoro-(2-methoxyphenyl)methyl]piperidine
SMILESCOc1ccccc1C(F)(F)C1CCCNC1
InChIInChI=1S/C13H17F2NO/c1-17-12-7-3-2-6-11(12)13(14,15)10-5-4-8-16-9-10/h2-3,6-7,10,16H,4-5,8-9H2,1H3
InChIKeyXXHRVUYZHDQREI-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.79
Rot. Bonds3

About 3-[difluoro-(2-methoxyphenyl)methyl]piperidine

3-[difluoro-(2-methoxyphenyl)methyl]piperidine (PubChem CID 84728168) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 3-[difluoro-(2-methoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name3-[difluoro-(2-methoxyphenyl)methyl]piperidine
PubChem CID84728168
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name3-[difluoro-(2-methoxyphenyl)methyl]piperidine
SMILESCOc1ccccc1C(F)(F)C1CCCNC1
InChIInChI=1S/C13H17F2NO/c1-17-12-7-3-2-6-11(12)13(14,15)10-5-4-8-16-9-10/h2-3,6-7,10,16H,4-5,8-9H2,1H3
InChIKeyXXHRVUYZHDQREI-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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Related Compounds

3-[difluoro-(2-methylphenyl)methyl]piperidine
CID 84725689
3-[difluoro-(4-methoxy-2,5-dimethylphenyl)methyl]piperidine
CID 116838879
3-[difluoro-(2-methoxy-3,5-dimethylphenyl)methyl]piperidine
CID 116838895
3-[(5-chloro-2-methoxyphenyl)-difluoromethyl]pyrrolidine
CID 116839056
3-[1-fluoro-1-(2-propoxyphenyl)ethyl]piperidine
CID 104663559
3-[(2,4-dimethylphenyl)-difluoromethyl]piperidine
CID 116838867
3-[[2-methoxy-6-(trifluoromethyl)phenyl]methyl]piperidine
CID 84810049
3-[difluoro(naphthalen-2-yl)methyl]piperidine
CID 116838927
2-[cyclopropyl(difluoro)methyl]-1-methoxy-4-methylbenzene
CID 116841637
3-[2,2-difluoro-2-(2-methoxyphenyl)ethyl]azetidine
CID 105484527
N-[2-(2-methoxyphenyl)propan-2-yl]pyrrolidin-3-amine
CID 66916325
1-[2-(2-cyclopropylethoxy)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol
CID 67194013

Frequently Asked Questions

What is the IUPAC name of 3-[difluoro-(2-methoxyphenyl)methyl]piperidine?
The IUPAC name of 3-[difluoro-(2-methoxyphenyl)methyl]piperidine (CID 84728168) is 3-[difluoro-(2-methoxyphenyl)methyl]piperidine.
What is the SMILES notation for 3-[difluoro-(2-methoxyphenyl)methyl]piperidine?
The canonical SMILES for 3-[difluoro-(2-methoxyphenyl)methyl]piperidine is COc1ccccc1C(F)(F)C1CCCNC1.
What is the InChIKey of 3-[difluoro-(2-methoxyphenyl)methyl]piperidine?
The InChIKey is XXHRVUYZHDQREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-17-12-7-3-2-6-11(12)13(14,15)10-5-4-8-16-9-10/h2-3,6-7,10,16H,4-5,8-9H2,1H3.
What are the key properties of 3-[difluoro-(2-methoxyphenyl)methyl]piperidine?
3-[difluoro-(2-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 3-[difluoro-(2-methoxyphenyl)methyl]piperidine is sourced from PubChem (CID 84728168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).