3-[fluoro-(3-methoxyphenyl)methyl]piperidine

C13H18FNO — CID 84725285

IUPAC3-[fluoro-(3-methoxyphenyl)methyl]piperidine
SMILESCOc1cccc(C(F)C2CCCNC2)c1
InChIInChI=1S/C13H18FNO/c1-16-12-6-2-4-10(8-12)13(14)11-5-3-7-15-9-11/h2,4,6,8,11,13,15H,3,5,7,9H2,1H3
InChIKeyGCEYPYHSQWTVRH-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.71
Rot. Bonds3

About 3-[fluoro-(3-methoxyphenyl)methyl]piperidine

3-[fluoro-(3-methoxyphenyl)methyl]piperidine (PubChem CID 84725285) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 3-[fluoro-(3-methoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name3-[fluoro-(3-methoxyphenyl)methyl]piperidine
PubChem CID84725285
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name3-[fluoro-(3-methoxyphenyl)methyl]piperidine
SMILESCOc1cccc(C(F)C2CCCNC2)c1
InChIInChI=1S/C13H18FNO/c1-16-12-6-2-4-10(8-12)13(14)11-5-3-7-15-9-11/h2,4,6,8,11,13,15H,3,5,7,9H2,1H3
InChIKeyGCEYPYHSQWTVRH-UHFFFAOYSA-N
XLogP2.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[(1R)-1-(3-methoxyphenyl)ethyl]pyrrolidine
CID 95366455
3-[2-(3-methoxyphenyl)propyl]piperidine
CID 105493506
N-[(1S)-1-(3-methoxyphenyl)ethyl]azepan-4-amine
CID 103982575
3-[fluoro-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidine
CID 107290834
1-[(R)-cyclohexyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171286720
N-ethyl-N-[1-(3-methoxyphenyl)ethyl]piperidin-3-amine
CID 55250096
3-[(4-tert-butylphenyl)-fluoromethyl]piperidine
CID 112565434
3-[1-(3-methoxyphenoxy)ethyl]pyrrolidine
CID 105477836
3-(3-methoxyphenyl)-N-piperidin-3-ylbutanamide;hydrochloride
CID 119427977
N-[1-(3-methoxyphenyl)ethyl]-N-propylpiperidin-3-amine
CID 63637072
4-[(3-ethoxyphenyl)-fluoromethyl]piperidine
CID 112563653
3-[1-(3-chlorophenyl)ethyl]piperidine
CID 83910984

Frequently Asked Questions

What is the IUPAC name of 3-[fluoro-(3-methoxyphenyl)methyl]piperidine?
The IUPAC name of 3-[fluoro-(3-methoxyphenyl)methyl]piperidine (CID 84725285) is 3-[fluoro-(3-methoxyphenyl)methyl]piperidine.
What is the SMILES notation for 3-[fluoro-(3-methoxyphenyl)methyl]piperidine?
The canonical SMILES for 3-[fluoro-(3-methoxyphenyl)methyl]piperidine is COc1cccc(C(F)C2CCCNC2)c1.
What is the InChIKey of 3-[fluoro-(3-methoxyphenyl)methyl]piperidine?
The InChIKey is GCEYPYHSQWTVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-16-12-6-2-4-10(8-12)13(14)11-5-3-7-15-9-11/h2,4,6,8,11,13,15H,3,5,7,9H2,1H3.
What are the key properties of 3-[fluoro-(3-methoxyphenyl)methyl]piperidine?
3-[fluoro-(3-methoxyphenyl)methyl]piperidine has a molecular weight of 223.29 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[fluoro-(3-methoxyphenyl)methyl]piperidine is sourced from PubChem (CID 84725285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).