2-[(2,5-difluoro-3-methoxyphenyl)methyl]piperidine

C13H17F2NO — CID 117355169

IUPAC2-[(2,5-difluoro-3-methoxyphenyl)methyl]piperidine
SMILESCOc1cc(F)cc(CC2CCCCN2)c1F
InChIInChI=1S/C13H17F2NO/c1-17-12-8-10(14)6-9(13(12)15)7-11-4-2-3-5-16-11/h6,8,11,16H,2-5,7H2,1H3
InChIKeyQPJJIRVTQGNTQZ-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.66
Rot. Bonds3

About 2-[(2,5-difluoro-3-methoxyphenyl)methyl]piperidine

2-[(2,5-difluoro-3-methoxyphenyl)methyl]piperidine (PubChem CID 117355169) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 2-[(2,5-difluoro-3-methoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name2-[(2,5-difluoro-3-methoxyphenyl)methyl]piperidine
PubChem CID117355169
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name2-[(2,5-difluoro-3-methoxyphenyl)methyl]piperidine
SMILESCOc1cc(F)cc(CC2CCCCN2)c1F
InChIInChI=1S/C13H17F2NO/c1-17-12-8-10(14)6-9(13(12)15)7-11-4-2-3-5-16-11/h6,8,11,16H,2-5,7H2,1H3
InChIKeyQPJJIRVTQGNTQZ-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,3,5-trifluorophenyl)methyl]piperidine
CID 117118174
2-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperidine
CID 117455554
2-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]pyrrolidine
CID 117396171
2-[(3-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386331
2-[(2,3,5-trimethoxyphenyl)methyl]piperidine
CID 117417667
2-[(2,4-dimethoxyphenyl)methyl]piperidine
CID 62800646
2-[[4-(difluoromethyl)-2,5-dimethoxyphenyl]methyl]piperidine
CID 117459511
2-[[5-(difluoromethyl)-2,4-dimethoxyphenyl]methyl]piperidine
CID 117459514
2-[(3,5-difluorophenyl)methyl]piperidine
CID 62791911
2-[(2,4-difluoro-3-methoxyphenyl)methyl]piperidine
CID 117355168
2-[[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]methyl]piperidine
CID 117451779
2-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117413167

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-difluoro-3-methoxyphenyl)methyl]piperidine?
The IUPAC name of 2-[(2,5-difluoro-3-methoxyphenyl)methyl]piperidine (CID 117355169) is 2-[(2,5-difluoro-3-methoxyphenyl)methyl]piperidine.
What is the SMILES notation for 2-[(2,5-difluoro-3-methoxyphenyl)methyl]piperidine?
The canonical SMILES for 2-[(2,5-difluoro-3-methoxyphenyl)methyl]piperidine is COc1cc(F)cc(CC2CCCCN2)c1F.
What is the InChIKey of 2-[(2,5-difluoro-3-methoxyphenyl)methyl]piperidine?
The InChIKey is QPJJIRVTQGNTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-17-12-8-10(14)6-9(13(12)15)7-11-4-2-3-5-16-11/h6,8,11,16H,2-5,7H2,1H3.
What are the key properties of 2-[(2,5-difluoro-3-methoxyphenyl)methyl]piperidine?
2-[(2,5-difluoro-3-methoxyphenyl)methyl]piperidine has a molecular weight of 241.28 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-difluoro-3-methoxyphenyl)methyl]piperidine is sourced from PubChem (CID 117355169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).