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

C15H22FNO3 — CID 117455554

IUPAC2-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperidine
SMILESCOc1cc(CC2CCCCN2)c(OC)c(F)c1OC
InChIInChI=1S/C15H22FNO3/c1-18-12-9-10(8-11-6-4-5-7-17-11)14(19-2)13(16)15(12)20-3/h9,11,17H,4-8H2,1-3H3
InChIKeyVZEDKDZKLMFUBZ-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.54
Rot. Bonds5

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

2-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperidine (PubChem CID 117455554) has the molecular formula C15H22FNO3 and a molecular weight of 283.34 g/mol. Its IUPAC name is 2-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name2-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperidine
PubChem CID117455554
Molecular FormulaC15H22FNO3
Molecular Weight283.34 g/mol
Exact Mass283.16
IUPAC Name2-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperidine
SMILESCOc1cc(CC2CCCCN2)c(OC)c(F)c1OC
InChIInChI=1S/C15H22FNO3/c1-18-12-9-10(8-11-6-4-5-7-17-11)14(19-2)13(16)15(12)20-3/h9,11,17H,4-8H2,1-3H3
InChIKeyVZEDKDZKLMFUBZ-UHFFFAOYSA-N
XLogP2.54
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,3,5-trimethoxyphenyl)methyl]piperidine
CID 117417667
2-[(3-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386331
2-[(2,5-difluoro-3-methoxyphenyl)methyl]piperidine
CID 117355169
2-[[2,3-dimethoxy-5-(methoxymethyl)phenyl]methyl]piperidine
CID 117448266
2-fluoro-3-methoxy-6-methyl-4-(pyrrolidin-2-ylmethyl)phenol
CID 84799672
2-[(5-chloro-4-fluoro-2,3-dimethoxyphenyl)methyl]pyrrolidine
CID 117437129
2-[(5-ethyl-2,3-dimethoxyphenyl)methyl]pyrrolidine
CID 117377118
2-[(2,4-difluoro-3-methoxyphenyl)methyl]piperidine
CID 117355168
2-[[4-(difluoromethyl)-2,5-dimethoxyphenyl]methyl]piperidine
CID 117459511
2-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]piperidine
CID 117479519
3,4-dimethoxy-5-(pyrrolidin-2-ylmethyl)benzoic acid
CID 117417276
2-[(2,3,6-trimethoxyphenyl)methyl]piperidine
CID 117417665

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperidine?
The IUPAC name of 2-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperidine (CID 117455554) is 2-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperidine.
What is the SMILES notation for 2-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperidine?
The canonical SMILES for 2-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperidine is COc1cc(CC2CCCCN2)c(OC)c(F)c1OC.
What is the InChIKey of 2-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperidine?
The InChIKey is VZEDKDZKLMFUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3/c1-18-12-9-10(8-11-6-4-5-7-17-11)14(19-2)13(16)15(12)20-3/h9,11,17H,4-8H2,1-3H3.
What are the key properties of 2-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperidine?
2-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperidine has a molecular weight of 283.34 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperidine is sourced from PubChem (CID 117455554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).