(3R)-3-(3,4-difluoro-5-methoxyphenyl)piperidine

C12H15F2NO — CID 99945845

IUPAC(3R)-3-(3,4-difluoro-5-methoxyphenyl)piperidine
SMILESCOc1cc([C@H]2CCCNC2)cc(F)c1F
InChIInChI=1S/C12H15F2NO/c1-16-11-6-9(5-10(13)12(11)14)8-3-2-4-15-7-8/h5-6,8,15H,2-4,7H2,1H3/t8-/m0/s1
InChIKeyHRUNEWGPSZFQAJ-QMMMGPOBSA-N
MW227.25 g/mol
LogP2.44
Rot. Bonds2

About (3R)-3-(3,4-difluoro-5-methoxyphenyl)piperidine

(3R)-3-(3,4-difluoro-5-methoxyphenyl)piperidine (PubChem CID 99945845) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is (3R)-3-(3,4-difluoro-5-methoxyphenyl)piperidine.

Molecular Properties

Compound Name(3R)-3-(3,4-difluoro-5-methoxyphenyl)piperidine
PubChem CID99945845
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name(3R)-3-(3,4-difluoro-5-methoxyphenyl)piperidine
SMILESCOc1cc([C@H]2CCCNC2)cc(F)c1F
InChIInChI=1S/C12H15F2NO/c1-16-11-6-9(5-10(13)12(11)14)8-3-2-4-15-7-8/h5-6,8,15H,2-4,7H2,1H3/t8-/m0/s1
InChIKeyHRUNEWGPSZFQAJ-QMMMGPOBSA-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-(4-fluoro-3,5-dimethoxyphenyl)piperidine
CID 84799696
3-(3-bromo-4-fluoro-5-methoxyphenyl)piperidine
CID 117465048
3-(4-fluoro-3-methoxy-5-methylphenyl)piperidine
CID 117320080
3-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)piperidine
CID 117381984
3-(3-bromo-5-methoxy-4-methylphenyl)piperidine
CID 117457367
2-(3,4-difluoro-5-methoxyphenyl)pyrrolidine;hydrochloride
CID 146049321
3-(3,4-difluoro-5-nitrophenyl)piperidine
CID 117357182
3-(5-ethyl-4-fluoro-2-methoxyphenyl)piperidine
CID 117347386
(3S)-3-(2,3-difluoro-4-methoxyphenyl)piperidine
CID 99945848
3-(2,3-difluoro-5,6-dimethoxyphenyl)pyrrolidine
CID 117359549
(3S)-3-[5-fluoro-2-methoxy-4-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 162471999
methyl 3-fluoro-2-hydroxy-5-piperidin-3-ylbenzoate
CID 117385557

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3,4-difluoro-5-methoxyphenyl)piperidine?
The IUPAC name of (3R)-3-(3,4-difluoro-5-methoxyphenyl)piperidine (CID 99945845) is (3R)-3-(3,4-difluoro-5-methoxyphenyl)piperidine.
What is the SMILES notation for (3R)-3-(3,4-difluoro-5-methoxyphenyl)piperidine?
The canonical SMILES for (3R)-3-(3,4-difluoro-5-methoxyphenyl)piperidine is COc1cc([C@H]2CCCNC2)cc(F)c1F.
What is the InChIKey of (3R)-3-(3,4-difluoro-5-methoxyphenyl)piperidine?
The InChIKey is HRUNEWGPSZFQAJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-16-11-6-9(5-10(13)12(11)14)8-3-2-4-15-7-8/h5-6,8,15H,2-4,7H2,1H3/t8-/m0/s1.
What are the key properties of (3R)-3-(3,4-difluoro-5-methoxyphenyl)piperidine?
(3R)-3-(3,4-difluoro-5-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 (3R)-3-(3,4-difluoro-5-methoxyphenyl)piperidine is sourced from PubChem (CID 99945845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).