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

C14H20FNO2 — CID 117386375

IUPAC4-[(3-fluoro-2,4-dimethoxyphenyl)methyl]piperidine
SMILESCOc1ccc(CC2CCNCC2)c(OC)c1F
InChIInChI=1S/C14H20FNO2/c1-17-12-4-3-11(14(18-2)13(12)15)9-10-5-7-16-8-6-10/h3-4,10,16H,5-9H2,1-2H3
InChIKeyCMBUAOGCSGHEEQ-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.38
Rot. Bonds4

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

4-[(3-fluoro-2,4-dimethoxyphenyl)methyl]piperidine (PubChem CID 117386375) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 4-[(3-fluoro-2,4-dimethoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(3-fluoro-2,4-dimethoxyphenyl)methyl]piperidine
PubChem CID117386375
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name4-[(3-fluoro-2,4-dimethoxyphenyl)methyl]piperidine
SMILESCOc1ccc(CC2CCNCC2)c(OC)c1F
InChIInChI=1S/C14H20FNO2/c1-17-12-4-3-11(14(18-2)13(12)15)9-10-5-7-16-8-6-10/h3-4,10,16H,5-9H2,1-2H3
InChIKeyCMBUAOGCSGHEEQ-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-fluoro-4-methoxy-3-methylsulfanylphenyl)methyl]piperidine
CID 117426953
4-[(3-ethyl-2,4-dimethoxyphenyl)methyl]piperidine
CID 117413527
4-[(3,4-dimethoxy-2-methylsulfanylphenyl)methyl]piperidine
CID 117451931
4-[(2-chloro-3,4-dimethoxyphenyl)methyl]piperidine
CID 117427876
4-[(2-fluoro-4-methoxy-3-methylsulfonylphenyl)methyl]piperidine
CID 117485597
4-[(5-fluoro-2,3-dimethoxyphenyl)methyl]piperidine
CID 117386378
4-[(6-chloro-2-fluoro-3-methoxyphenyl)methyl]piperidine
CID 117398048
4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386379
4-[(2,4,5-trifluoro-3-methoxyphenyl)methyl]piperidine
CID 117117929
4-[(4-chloro-2-methoxyphenyl)methyl]piperidine
CID 84800099
3-[(2-fluoro-3,6-dimethoxyphenyl)methyl]pyrrolidine
CID 84799616
2,3-difluoro-1-methoxy-4-[(4-methylcyclohexyl)methyl]benzene
CID 20742506

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-2,4-dimethoxyphenyl)methyl]piperidine?
The IUPAC name of 4-[(3-fluoro-2,4-dimethoxyphenyl)methyl]piperidine (CID 117386375) is 4-[(3-fluoro-2,4-dimethoxyphenyl)methyl]piperidine.
What is the SMILES notation for 4-[(3-fluoro-2,4-dimethoxyphenyl)methyl]piperidine?
The canonical SMILES for 4-[(3-fluoro-2,4-dimethoxyphenyl)methyl]piperidine is COc1ccc(CC2CCNCC2)c(OC)c1F.
What is the InChIKey of 4-[(3-fluoro-2,4-dimethoxyphenyl)methyl]piperidine?
The InChIKey is CMBUAOGCSGHEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-17-12-4-3-11(14(18-2)13(12)15)9-10-5-7-16-8-6-10/h3-4,10,16H,5-9H2,1-2H3.
What are the key properties of 4-[(3-fluoro-2,4-dimethoxyphenyl)methyl]piperidine?
4-[(3-fluoro-2,4-dimethoxyphenyl)methyl]piperidine has a molecular weight of 253.32 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-2,4-dimethoxyphenyl)methyl]piperidine is sourced from PubChem (CID 117386375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).