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

C14H20FNO2 — CID 117386378

IUPAC4-[(5-fluoro-2,3-dimethoxyphenyl)methyl]piperidine
SMILESCOc1cc(F)cc(CC2CCNCC2)c1OC
InChIInChI=1S/C14H20FNO2/c1-17-13-9-12(15)8-11(14(13)18-2)7-10-3-5-16-6-4-10/h8-10,16H,3-7H2,1-2H3
InChIKeyZJHQWTWJVSSUAN-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.38
Rot. Bonds4

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

4-[(5-fluoro-2,3-dimethoxyphenyl)methyl]piperidine (PubChem CID 117386378) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 4-[(5-fluoro-2,3-dimethoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(5-fluoro-2,3-dimethoxyphenyl)methyl]piperidine
PubChem CID117386378
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name4-[(5-fluoro-2,3-dimethoxyphenyl)methyl]piperidine
SMILESCOc1cc(F)cc(CC2CCNCC2)c1OC
InChIInChI=1S/C14H20FNO2/c1-17-13-9-12(15)8-11(14(13)18-2)7-10-3-5-16-6-4-10/h8-10,16H,3-7H2,1-2H3
InChIKeyZJHQWTWJVSSUAN-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-[(2,3-dimethoxy-5-methylphenyl)methyl]piperidine
CID 117377234
3,4-dimethoxy-5-(piperidin-4-ylmethyl)phenol
CID 117381520
4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386379
4-[(3-fluoro-2,4-dimethoxyphenyl)methyl]piperidine
CID 117386375
3-[(2-chloro-5-fluoro-3-methoxyphenyl)methyl]pyrrolidine
CID 84802168
3-[(3-chloro-5-fluoro-2-methoxyphenyl)methyl]pyrrolidine
CID 84802159
4-[(5-fluoro-2-methoxy-4-methylphenyl)methyl]piperidine
CID 84798681
4-[(2,4,5-trifluoro-3-methoxyphenyl)methyl]piperidine
CID 117117929
4-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]piperidine
CID 117398047
4-[(5-ethyl-3-fluoro-2-methoxyphenyl)methyl]piperidine
CID 117382042
5-fluoro-2-methoxy-4-(piperidin-4-ylmethyl)phenol
CID 84799660
4-[[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]methyl]piperidine
CID 117422106

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2,3-dimethoxyphenyl)methyl]piperidine?
The IUPAC name of 4-[(5-fluoro-2,3-dimethoxyphenyl)methyl]piperidine (CID 117386378) is 4-[(5-fluoro-2,3-dimethoxyphenyl)methyl]piperidine.
What is the SMILES notation for 4-[(5-fluoro-2,3-dimethoxyphenyl)methyl]piperidine?
The canonical SMILES for 4-[(5-fluoro-2,3-dimethoxyphenyl)methyl]piperidine is COc1cc(F)cc(CC2CCNCC2)c1OC.
What is the InChIKey of 4-[(5-fluoro-2,3-dimethoxyphenyl)methyl]piperidine?
The InChIKey is ZJHQWTWJVSSUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-17-13-9-12(15)8-11(14(13)18-2)7-10-3-5-16-6-4-10/h8-10,16H,3-7H2,1-2H3.
What are the key properties of 4-[(5-fluoro-2,3-dimethoxyphenyl)methyl]piperidine?
4-[(5-fluoro-2,3-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-[(5-fluoro-2,3-dimethoxyphenyl)methyl]piperidine is sourced from PubChem (CID 117386378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).