4-fluoro-2-(2-methoxyphenyl)-2-methylpiperidine;hydrochloride

C13H19ClFNO — CID 115054375

IUPAC4-fluoro-2-(2-methoxyphenyl)-2-methylpiperidine;hydrochloride
SMILESCOc1ccccc1C1(C)CC(F)CCN1.Cl
InChIInChI=1S/C13H18FNO.ClH/c1-13(9-10(14)7-8-15-13)11-5-3-4-6-12(11)16-2;/h3-6,10,15H,7-9H2,1-2H3;1H
InChIKeyDWBUBZKKBUUSCM-UHFFFAOYSA-N
MW259.75 g/mol
LogP3.05
Rot. Bonds2

About 4-fluoro-2-(2-methoxyphenyl)-2-methylpiperidine;hydrochloride

4-fluoro-2-(2-methoxyphenyl)-2-methylpiperidine;hydrochloride (PubChem CID 115054375) has the molecular formula C13H19ClFNO and a molecular weight of 259.75 g/mol. Its IUPAC name is 4-fluoro-2-(2-methoxyphenyl)-2-methylpiperidine;hydrochloride.

Molecular Properties

Compound Name4-fluoro-2-(2-methoxyphenyl)-2-methylpiperidine;hydrochloride
PubChem CID115054375
Molecular FormulaC13H19ClFNO
Molecular Weight259.75 g/mol
Exact Mass259.11
IUPAC Name4-fluoro-2-(2-methoxyphenyl)-2-methylpiperidine;hydrochloride
SMILESCOc1ccccc1C1(C)CC(F)CCN1.Cl
InChIInChI=1S/C13H18FNO.ClH/c1-13(9-10(14)7-8-15-13)11-5-3-4-6-12(11)16-2;/h3-6,10,15H,7-9H2,1-2H3;1H
InChIKeyDWBUBZKKBUUSCM-UHFFFAOYSA-N
XLogP3.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.75
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-4-fluoro-2-methylpiperidine
CID 115050602
2-(2-bromophenyl)-2-methylpiperidin-4-ol
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7-(2-methoxyphenyl)-4-azaspiro[2.4]heptane
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1-(1-fluorocyclopropyl)-2-methoxybenzene
CID 22940038
4-(2-methoxyphenyl)-2-azabicyclo[2.1.1]hexane
CID 115017877
2-[2-(fluoromethyl)-3-methoxyphenyl]-2-methylpyrrolidine
CID 117320275
3-(2-methoxyphenyl)-3-methylcyclopentan-1-amine
CID 116538709
3-(2-methoxyphenyl)-2,3-dimethylpyrrolidine
CID 62354378
2-(2,6-dimethoxyphenyl)-2-methylpyrrolidine
CID 116810545
2-(3-methoxy-2-methylsulfanylphenyl)-2-methylpyrrolidine
CID 117347870
2-(2-methoxyphenyl)-2-propylazetidine
CID 115058535

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(2-methoxyphenyl)-2-methylpiperidine;hydrochloride?
The IUPAC name of 4-fluoro-2-(2-methoxyphenyl)-2-methylpiperidine;hydrochloride (CID 115054375) is 4-fluoro-2-(2-methoxyphenyl)-2-methylpiperidine;hydrochloride.
What is the SMILES notation for 4-fluoro-2-(2-methoxyphenyl)-2-methylpiperidine;hydrochloride?
The canonical SMILES for 4-fluoro-2-(2-methoxyphenyl)-2-methylpiperidine;hydrochloride is COc1ccccc1C1(C)CC(F)CCN1.Cl.
What is the InChIKey of 4-fluoro-2-(2-methoxyphenyl)-2-methylpiperidine;hydrochloride?
The InChIKey is DWBUBZKKBUUSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO.ClH/c1-13(9-10(14)7-8-15-13)11-5-3-4-6-12(11)16-2;/h3-6,10,15H,7-9H2,1-2H3;1H.
What are the key properties of 4-fluoro-2-(2-methoxyphenyl)-2-methylpiperidine;hydrochloride?
4-fluoro-2-(2-methoxyphenyl)-2-methylpiperidine;hydrochloride has a molecular weight of 259.75 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(2-methoxyphenyl)-2-methylpiperidine;hydrochloride is sourced from PubChem (CID 115054375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).