2-[[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]methyl]piperidine

C16H24FNO2 — CID 117451779

IUPAC2-[[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]methyl]piperidine
SMILESCOc1cc(OC)c(C(C)F)cc1CC1CCCCN1
InChIInChI=1S/C16H24FNO2/c1-11(17)14-9-12(8-13-6-4-5-7-18-13)15(19-2)10-16(14)20-3/h9-11,13,18H,4-8H2,1-3H3
InChIKeyUCHBUJRLVLINHF-UHFFFAOYSA-N
MW281.37 g/mol
LogP3.42
Rot. Bonds5

About 2-[[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]methyl]piperidine

2-[[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]methyl]piperidine (PubChem CID 117451779) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 2-[[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]methyl]piperidine.

Molecular Properties

Compound Name2-[[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]methyl]piperidine
PubChem CID117451779
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name2-[[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]methyl]piperidine
SMILESCOc1cc(OC)c(C(C)F)cc1CC1CCCCN1
InChIInChI=1S/C16H24FNO2/c1-11(17)14-9-12(8-13-6-4-5-7-18-13)15(19-2)10-16(14)20-3/h9-11,13,18H,4-8H2,1-3H3
InChIKeyUCHBUJRLVLINHF-UHFFFAOYSA-N
XLogP3.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[5-(difluoromethyl)-2,4-dimethoxyphenyl]methyl]piperidine
CID 117459514
2-[[4-(difluoromethyl)-2,5-dimethoxyphenyl]methyl]piperidine
CID 117459511
2-[[5-(1-fluoroethyl)-2-methoxyphenyl]methyl]pyrrolidine
CID 84700259
2-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117413167
2-[(5-chloro-4-methoxy-2-propan-2-ylphenyl)methyl]piperidine
CID 117452803
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-(difluoromethyl)-4-methoxyphenyl]methyl]pyrrolidine
CID 117355063
2-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperidine
CID 117455554
(2S)-2-[[2,5-dimethoxy-4-(propoxymethyl)phenyl]methyl]pyrrolidine
CID 178136967
2-[(2,3,5-trimethoxyphenyl)methyl]piperidine
CID 117417667

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]methyl]piperidine?
The IUPAC name of 2-[[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]methyl]piperidine (CID 117451779) is 2-[[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]methyl]piperidine.
What is the SMILES notation for 2-[[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]methyl]piperidine?
The canonical SMILES for 2-[[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]methyl]piperidine is COc1cc(OC)c(C(C)F)cc1CC1CCCCN1.
What is the InChIKey of 2-[[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]methyl]piperidine?
The InChIKey is UCHBUJRLVLINHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-11(17)14-9-12(8-13-6-4-5-7-18-13)15(19-2)10-16(14)20-3/h9-11,13,18H,4-8H2,1-3H3.
What are the key properties of 2-[[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]methyl]piperidine?
2-[[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]methyl]piperidine has a molecular weight of 281.37 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]methyl]piperidine is sourced from PubChem (CID 117451779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).