3-[[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]methyl]piperidine

C16H24FNO2 — CID 117451785

IUPAC3-[[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]methyl]piperidine
SMILESCOc1cc(CC2CCCNC2)c(C(C)F)cc1OC
InChIInChI=1S/C16H24FNO2/c1-11(17)14-9-16(20-3)15(19-2)8-13(14)7-12-5-4-6-18-10-12/h8-9,11-12,18H,4-7,10H2,1-3H3
InChIKeyKAESPNJAIGFCMS-UHFFFAOYSA-N
MW281.37 g/mol
LogP3.28
Rot. Bonds5

About 3-[[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]methyl]piperidine

3-[[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]methyl]piperidine (PubChem CID 117451785) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 3-[[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]methyl]piperidine.

Molecular Properties

Compound Name3-[[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]methyl]piperidine
PubChem CID117451785
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name3-[[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]methyl]piperidine
SMILESCOc1cc(CC2CCCNC2)c(C(C)F)cc1OC
InChIInChI=1S/C16H24FNO2/c1-11(17)14-9-16(20-3)15(19-2)8-13(14)7-12-5-4-6-18-10-12/h8-9,11-12,18H,4-7,10H2,1-3H3
InChIKeyKAESPNJAIGFCMS-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]piperidine
CID 117479530
3-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]piperidine
CID 84804959
3-[(2-fluoro-5-methoxy-4-methylphenyl)methyl]piperidine
CID 84798639
3-[(4-fluoro-2-methoxyphenyl)methyl]piperidine
CID 84789117
3-[[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]methyl]piperidine
CID 117476118
3-[(3-chloro-2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117464468
3-[(2-methoxyphenyl)methyl]piperidine
CID 5005916
3-[(3,5-dimethoxy-2-methylphenyl)methyl]piperidine
CID 117377185
5-chloro-2-methoxy-4-(piperidin-3-ylmethyl)phenol
CID 117392596
3-[(5-chloro-4-fluoro-2-methoxyphenyl)methyl]piperidine
CID 117398036
3-[(6-methoxy-1,3-dihydro-2-benzofuran-5-yl)methyl]piperidine
CID 117371537
3-[[2-(difluoromethyl)-5-methylphenyl]methyl]piperidine
CID 84799772

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]methyl]piperidine?
The IUPAC name of 3-[[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]methyl]piperidine (CID 117451785) is 3-[[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]methyl]piperidine.
What is the SMILES notation for 3-[[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]methyl]piperidine?
The canonical SMILES for 3-[[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]methyl]piperidine is COc1cc(CC2CCCNC2)c(C(C)F)cc1OC.
What is the InChIKey of 3-[[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]methyl]piperidine?
The InChIKey is KAESPNJAIGFCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-11(17)14-9-16(20-3)15(19-2)8-13(14)7-12-5-4-6-18-10-12/h8-9,11-12,18H,4-7,10H2,1-3H3.
What are the key properties of 3-[[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]methyl]piperidine?
3-[[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]methyl]piperidine has a molecular weight of 281.37 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]methyl]piperidine is sourced from PubChem (CID 117451785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).