2-[[5-(difluoromethyl)-2,4-dimethoxyphenyl]methyl]piperidine

C15H21F2NO2 — CID 117459514

IUPAC2-[[5-(difluoromethyl)-2,4-dimethoxyphenyl]methyl]piperidine
SMILESCOc1cc(OC)c(C(F)F)cc1CC1CCCCN1
InChIInChI=1S/C15H21F2NO2/c1-19-13-9-14(20-2)12(15(16)17)8-10(13)7-11-5-3-4-6-18-11/h8-9,11,15,18H,3-7H2,1-2H3
InChIKeyXUWOIWGEITWYPG-UHFFFAOYSA-N
MW285.33 g/mol
LogP3.33
Rot. Bonds5

About 2-[[5-(difluoromethyl)-2,4-dimethoxyphenyl]methyl]piperidine

2-[[5-(difluoromethyl)-2,4-dimethoxyphenyl]methyl]piperidine (PubChem CID 117459514) has the molecular formula C15H21F2NO2 and a molecular weight of 285.33 g/mol. Its IUPAC name is 2-[[5-(difluoromethyl)-2,4-dimethoxyphenyl]methyl]piperidine.

Molecular Properties

Compound Name2-[[5-(difluoromethyl)-2,4-dimethoxyphenyl]methyl]piperidine
PubChem CID117459514
Molecular FormulaC15H21F2NO2
Molecular Weight285.33 g/mol
Exact Mass285.15
IUPAC Name2-[[5-(difluoromethyl)-2,4-dimethoxyphenyl]methyl]piperidine
SMILESCOc1cc(OC)c(C(F)F)cc1CC1CCCCN1
InChIInChI=1S/C15H21F2NO2/c1-19-13-9-14(20-2)12(15(16)17)8-10(13)7-11-5-3-4-6-18-11/h8-9,11,15,18H,3-7H2,1-2H3
InChIKeyXUWOIWGEITWYPG-UHFFFAOYSA-N
XLogP3.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(difluoromethyl)-2,5-dimethoxyphenyl]methyl]piperidine
CID 117459511
2-[[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]methyl]piperidine
CID 117451779
2-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]pyrrolidine
CID 117355063
2-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117413167
2-[[5-(1-fluoroethyl)-2-methoxyphenyl]methyl]pyrrolidine
CID 84700259
2-[(2,5-difluoro-3-methoxyphenyl)methyl]piperidine
CID 117355169
2-[(2,4-dimethoxyphenyl)methyl]piperidine
CID 62800646
2-[[2-methoxy-5-methylsulfanyl-4-(trifluoromethoxy)phenyl]methyl]pyrrolidine
CID 178136877
2-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperidine
CID 117455554
(2S)-2-[[2,5-dimethoxy-4-(propoxymethyl)phenyl]methyl]pyrrolidine
CID 178136967
2-[(5-chloro-4-methoxy-2-propan-2-ylphenyl)methyl]piperidine
CID 117452803
2-[(2,3,5-trimethoxyphenyl)methyl]piperidine
CID 117417667

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(difluoromethyl)-2,4-dimethoxyphenyl]methyl]piperidine?
The IUPAC name of 2-[[5-(difluoromethyl)-2,4-dimethoxyphenyl]methyl]piperidine (CID 117459514) is 2-[[5-(difluoromethyl)-2,4-dimethoxyphenyl]methyl]piperidine.
What is the SMILES notation for 2-[[5-(difluoromethyl)-2,4-dimethoxyphenyl]methyl]piperidine?
The canonical SMILES for 2-[[5-(difluoromethyl)-2,4-dimethoxyphenyl]methyl]piperidine is COc1cc(OC)c(C(F)F)cc1CC1CCCCN1.
What is the InChIKey of 2-[[5-(difluoromethyl)-2,4-dimethoxyphenyl]methyl]piperidine?
The InChIKey is XUWOIWGEITWYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2/c1-19-13-9-14(20-2)12(15(16)17)8-10(13)7-11-5-3-4-6-18-11/h8-9,11,15,18H,3-7H2,1-2H3.
What are the key properties of 2-[[5-(difluoromethyl)-2,4-dimethoxyphenyl]methyl]piperidine?
2-[[5-(difluoromethyl)-2,4-dimethoxyphenyl]methyl]piperidine has a molecular weight of 285.33 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(difluoromethyl)-2,4-dimethoxyphenyl]methyl]piperidine is sourced from PubChem (CID 117459514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).