3-(4-fluoro-3-methoxy-5-methylphenyl)piperidine

C13H18FNO — CID 117320080

IUPAC3-(4-fluoro-3-methoxy-5-methylphenyl)piperidine
SMILESCOc1cc(C2CCCNC2)cc(C)c1F
InChIInChI=1S/C13H18FNO/c1-9-6-11(7-12(16-2)13(9)14)10-4-3-5-15-8-10/h6-7,10,15H,3-5,8H2,1-2H3
InChIKeyDOFPVTCEDBLXQH-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.61
Rot. Bonds2

About 3-(4-fluoro-3-methoxy-5-methylphenyl)piperidine

3-(4-fluoro-3-methoxy-5-methylphenyl)piperidine (PubChem CID 117320080) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 3-(4-fluoro-3-methoxy-5-methylphenyl)piperidine.

Molecular Properties

Compound Name3-(4-fluoro-3-methoxy-5-methylphenyl)piperidine
PubChem CID117320080
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name3-(4-fluoro-3-methoxy-5-methylphenyl)piperidine
SMILESCOc1cc(C2CCCNC2)cc(C)c1F
InChIInChI=1S/C13H18FNO/c1-9-6-11(7-12(16-2)13(9)14)10-4-3-5-15-8-10/h6-7,10,15H,3-5,8H2,1-2H3
InChIKeyDOFPVTCEDBLXQH-UHFFFAOYSA-N
XLogP2.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluoro-3,5-dimethoxyphenyl)piperidine
CID 84799696
(3R)-3-(3,4-difluoro-5-methoxyphenyl)piperidine
CID 99945845
3-(3-bromo-4-fluoro-5-methoxyphenyl)piperidine
CID 117465048
3-(3-bromo-5-methoxy-4-methylphenyl)piperidine
CID 117457367
3-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)piperidine
CID 117381984
3-(4-bromo-3-methoxy-5-methylphenyl)pyrrolidine
CID 84808965
(3S)-3-(2,5-dimethoxy-4-methylphenyl)piperidine
CID 96674039
(3S)-3-(2,3-difluoro-4-methoxyphenyl)piperidine
CID 99945848
3-(3-fluoro-5-methylphenyl)piperidine
CID 79003681
3-(3,4-dimethoxy-2,6-dimethylphenyl)piperidine
CID 117376942
3-(4-methoxy-3,5-dimethylphenyl)pyrrolidine;hydrochloride
CID 169498562
2-methoxy-6-methyl-4-piperidin-3-ylpyridine
CID 146284880

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methoxy-5-methylphenyl)piperidine?
The IUPAC name of 3-(4-fluoro-3-methoxy-5-methylphenyl)piperidine (CID 117320080) is 3-(4-fluoro-3-methoxy-5-methylphenyl)piperidine.
What is the SMILES notation for 3-(4-fluoro-3-methoxy-5-methylphenyl)piperidine?
The canonical SMILES for 3-(4-fluoro-3-methoxy-5-methylphenyl)piperidine is COc1cc(C2CCCNC2)cc(C)c1F.
What is the InChIKey of 3-(4-fluoro-3-methoxy-5-methylphenyl)piperidine?
The InChIKey is DOFPVTCEDBLXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9-6-11(7-12(16-2)13(9)14)10-4-3-5-15-8-10/h6-7,10,15H,3-5,8H2,1-2H3.
What are the key properties of 3-(4-fluoro-3-methoxy-5-methylphenyl)piperidine?
3-(4-fluoro-3-methoxy-5-methylphenyl)piperidine has a molecular weight of 223.29 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methoxy-5-methylphenyl)piperidine is sourced from PubChem (CID 117320080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).