(3S)-3-(2,3-difluoro-4-methoxyphenyl)piperidine

C12H15F2NO — CID 99945848

IUPAC(3S)-3-(2,3-difluoro-4-methoxyphenyl)piperidine
SMILESCOc1ccc([C@@H]2CCCNC2)c(F)c1F
InChIInChI=1S/C12H15F2NO/c1-16-10-5-4-9(11(13)12(10)14)8-3-2-6-15-7-8/h4-5,8,15H,2-3,6-7H2,1H3/t8-/m1/s1
InChIKeyGBJKNXHNLCWFKG-MRVPVSSYSA-N
MW227.25 g/mol
LogP2.44
Rot. Bonds2

About (3S)-3-(2,3-difluoro-4-methoxyphenyl)piperidine

(3S)-3-(2,3-difluoro-4-methoxyphenyl)piperidine (PubChem CID 99945848) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is (3S)-3-(2,3-difluoro-4-methoxyphenyl)piperidine.

Molecular Properties

Compound Name(3S)-3-(2,3-difluoro-4-methoxyphenyl)piperidine
PubChem CID99945848
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name(3S)-3-(2,3-difluoro-4-methoxyphenyl)piperidine
SMILESCOc1ccc([C@@H]2CCCNC2)c(F)c1F
InChIInChI=1S/C12H15F2NO/c1-16-10-5-4-9(11(13)12(10)14)8-3-2-6-15-7-8/h4-5,8,15H,2-3,6-7H2,1H3/t8-/m1/s1
InChIKeyGBJKNXHNLCWFKG-MRVPVSSYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-dimethoxy-3-methylsulfanylphenyl)piperidine
CID 117422244
3-(2-chloro-3,4-dimethoxyphenyl)piperidine
CID 117392621
3-(4-fluoro-3,5-dimethoxyphenyl)piperidine
CID 84799696
(3S)-3-(5-chloro-2-methoxyphenyl)piperidine
CID 94259889
4-methoxy-3-piperidin-3-ylphenol
CID 117296244
(3R)-3-(2,3-difluorophenyl)piperidine
CID 93478481
3-[2-(fluoromethyl)-3-methoxyphenyl]piperidine
CID 84688526
3-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)pyrrolidine
CID 117435702
3-[2-(1-fluoroethyl)-3-methoxyphenyl]piperidine
CID 84700227
(3R)-3-(3,4-difluoro-5-methoxyphenyl)piperidine
CID 99945845
4,7-dimethoxy-3-piperidin-3-yl-1H-indole
CID 82212328
3-(4-fluoro-3-methoxy-5-methylphenyl)piperidine
CID 117320080

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2,3-difluoro-4-methoxyphenyl)piperidine?
The IUPAC name of (3S)-3-(2,3-difluoro-4-methoxyphenyl)piperidine (CID 99945848) is (3S)-3-(2,3-difluoro-4-methoxyphenyl)piperidine.
What is the SMILES notation for (3S)-3-(2,3-difluoro-4-methoxyphenyl)piperidine?
The canonical SMILES for (3S)-3-(2,3-difluoro-4-methoxyphenyl)piperidine is COc1ccc([C@@H]2CCCNC2)c(F)c1F.
What is the InChIKey of (3S)-3-(2,3-difluoro-4-methoxyphenyl)piperidine?
The InChIKey is GBJKNXHNLCWFKG-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-16-10-5-4-9(11(13)12(10)14)8-3-2-6-15-7-8/h4-5,8,15H,2-3,6-7H2,1H3/t8-/m1/s1.
What are the key properties of (3S)-3-(2,3-difluoro-4-methoxyphenyl)piperidine?
(3S)-3-(2,3-difluoro-4-methoxyphenyl)piperidine has a molecular weight of 227.25 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2,3-difluoro-4-methoxyphenyl)piperidine is sourced from PubChem (CID 99945848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).