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

C14H20FNO2 — CID 117386331

IUPAC2-[(3-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
SMILESCOc1cc(CC2CCCCN2)cc(F)c1OC
InChIInChI=1S/C14H20FNO2/c1-17-13-9-10(8-12(15)14(13)18-2)7-11-5-3-4-6-16-11/h8-9,11,16H,3-7H2,1-2H3
InChIKeyHFAWWWAABCIEIJ-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.53
Rot. Bonds4

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

2-[(3-fluoro-4,5-dimethoxyphenyl)methyl]piperidine (PubChem CID 117386331) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-[(3-fluoro-4,5-dimethoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name2-[(3-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
PubChem CID117386331
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-[(3-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
SMILESCOc1cc(CC2CCCCN2)cc(F)c1OC
InChIInChI=1S/C14H20FNO2/c1-17-13-9-10(8-12(15)14(13)18-2)7-11-5-3-4-6-16-11/h8-9,11,16H,3-7H2,1-2H3
InChIKeyHFAWWWAABCIEIJ-UHFFFAOYSA-N
XLogP2.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]methyl]piperidine
CID 117482277
2-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]pyrrolidine
CID 117320360
2-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperidine
CID 117455554
2-[(3-fluoro-5-methoxy-4-propan-2-ylphenyl)methyl]pyrrolidine
CID 117382016
2-[[3,5-dimethoxy-4-(methoxymethyl)phenyl]methyl]piperidine
CID 117448273
2-[[2,3-dimethoxy-5-(methoxymethyl)phenyl]methyl]piperidine
CID 117448266
2,3-dimethoxy-5-(pyrrolidin-2-ylmethyl)benzonitrile
CID 117368202
3-fluoro-2-methoxy-5-(pyrrolidin-2-ylmethyl)benzonitrile
CID 117340394
2-[(2,3,5-trimethoxyphenyl)methyl]piperidine
CID 117417667
2-[[3-(fluoromethyl)-4-methoxyphenyl]methyl]piperidine
CID 117347458
2-[(5-ethyl-2,3-dimethoxyphenyl)methyl]pyrrolidine
CID 117377118
2-[(4-cyclopropyloxy-3-methoxyphenyl)methyl]piperidine
CID 117408287

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4,5-dimethoxyphenyl)methyl]piperidine?
The IUPAC name of 2-[(3-fluoro-4,5-dimethoxyphenyl)methyl]piperidine (CID 117386331) is 2-[(3-fluoro-4,5-dimethoxyphenyl)methyl]piperidine.
What is the SMILES notation for 2-[(3-fluoro-4,5-dimethoxyphenyl)methyl]piperidine?
The canonical SMILES for 2-[(3-fluoro-4,5-dimethoxyphenyl)methyl]piperidine is COc1cc(CC2CCCCN2)cc(F)c1OC.
What is the InChIKey of 2-[(3-fluoro-4,5-dimethoxyphenyl)methyl]piperidine?
The InChIKey is HFAWWWAABCIEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-17-13-9-10(8-12(15)14(13)18-2)7-11-5-3-4-6-16-11/h8-9,11,16H,3-7H2,1-2H3.
What are the key properties of 2-[(3-fluoro-4,5-dimethoxyphenyl)methyl]piperidine?
2-[(3-fluoro-4,5-dimethoxyphenyl)methyl]piperidine has a molecular weight of 253.32 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4,5-dimethoxyphenyl)methyl]piperidine is sourced from PubChem (CID 117386331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).