4-[(R)-(2-fluorophenoxy)-(3-fluorophenyl)methyl]piperidine

C18H19F2NO — CID 59039062

IUPAC4-[(R)-(2-fluorophenoxy)-(3-fluorophenyl)methyl]piperidine
SMILESFc1cccc([C@H](Oc2ccccc2F)C2CCNCC2)c1
InChIInChI=1S/C18H19F2NO/c19-15-5-3-4-14(12-15)18(13-8-10-21-11-9-13)22-17-7-2-1-6-16(17)20/h1-7,12-13,18,21H,8-11H2/t18-/m1/s1
InChIKeyCGFGPOSORWVEJK-GOSISDBHSA-N
MW303.35 g/mol
LogP4.08
Rot. Bonds4

About 4-[(R)-(2-fluorophenoxy)-(3-fluorophenyl)methyl]piperidine

4-[(R)-(2-fluorophenoxy)-(3-fluorophenyl)methyl]piperidine (PubChem CID 59039062) has the molecular formula C18H19F2NO and a molecular weight of 303.35 g/mol. Its IUPAC name is 4-[(R)-(2-fluorophenoxy)-(3-fluorophenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(R)-(2-fluorophenoxy)-(3-fluorophenyl)methyl]piperidine
PubChem CID59039062
Molecular FormulaC18H19F2NO
Molecular Weight303.35 g/mol
Exact Mass303.14
IUPAC Name4-[(R)-(2-fluorophenoxy)-(3-fluorophenyl)methyl]piperidine
SMILESFc1cccc([C@H](Oc2ccccc2F)C2CCNCC2)c1
InChIInChI=1S/C18H19F2NO/c19-15-5-3-4-14(12-15)18(13-8-10-21-11-9-13)22-17-7-2-1-6-16(17)20/h1-7,12-13,18,21H,8-11H2/t18-/m1/s1
InChIKeyCGFGPOSORWVEJK-GOSISDBHSA-N
XLogP4.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[(2,4-difluorophenoxy)-phenylmethyl]pyrrolidine
CID 66924540
3-[(4-chloro-2-fluorophenoxy)-phenylmethyl]pyrrolidine
CID 75057732
(3S)-3-[phenyl-(2,4,6-trifluorophenoxy)methyl]pyrrolidine
CID 66924710
4-[(S)-(4-fluorophenyl)-phenylmethyl]piperidine
CID 139510512
(2S)-2-[(S)-(4-chloro-2-fluorophenoxy)-(3-fluorophenyl)methyl]morpholine
CID 68599403
4-[3-[(1S)-1-(3-fluorophenyl)ethoxy]-2-methylphenyl]piperidine
CID 25263320
4-[(4-fluorophenyl)-methoxymethyl]piperidine
CID 10585185
3-[(S)-(4-chloro-2-fluorophenoxy)-pyrrolidin-3-ylmethyl]-5-fluoropyridine
CID 66752232
2-fluoro-3-[phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine
CID 66752141
3-[(R)-(2-chloro-4-fluorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-5-fluoropyridine
CID 46946035
(1S)-1-(3-fluorophenyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 81364808
(3S)-3-[(R)-(2-methylphenoxy)-phenylmethyl]pyrrolidine
CID 71562371

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-(2-fluorophenoxy)-(3-fluorophenyl)methyl]piperidine?
The IUPAC name of 4-[(R)-(2-fluorophenoxy)-(3-fluorophenyl)methyl]piperidine (CID 59039062) is 4-[(R)-(2-fluorophenoxy)-(3-fluorophenyl)methyl]piperidine.
What is the SMILES notation for 4-[(R)-(2-fluorophenoxy)-(3-fluorophenyl)methyl]piperidine?
The canonical SMILES for 4-[(R)-(2-fluorophenoxy)-(3-fluorophenyl)methyl]piperidine is Fc1cccc([C@H](Oc2ccccc2F)C2CCNCC2)c1.
What is the InChIKey of 4-[(R)-(2-fluorophenoxy)-(3-fluorophenyl)methyl]piperidine?
The InChIKey is CGFGPOSORWVEJK-GOSISDBHSA-N. The full InChI is InChI=1S/C18H19F2NO/c19-15-5-3-4-14(12-15)18(13-8-10-21-11-9-13)22-17-7-2-1-6-16(17)20/h1-7,12-13,18,21H,8-11H2/t18-/m1/s1.
What are the key properties of 4-[(R)-(2-fluorophenoxy)-(3-fluorophenyl)methyl]piperidine?
4-[(R)-(2-fluorophenoxy)-(3-fluorophenyl)methyl]piperidine has a molecular weight of 303.35 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-(2-fluorophenoxy)-(3-fluorophenyl)methyl]piperidine is sourced from PubChem (CID 59039062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).