4-[3-[(2,4-difluorophenoxy)methyl]phenyl]piperidine

C18H19F2NO — CID 91166199

IUPAC4-[3-[(2,4-difluorophenoxy)methyl]phenyl]piperidine
SMILESFc1ccc(OCc2cccc(C3CCNCC3)c2)c(F)c1
InChIInChI=1S/C18H19F2NO/c19-16-4-5-18(17(20)11-16)22-12-13-2-1-3-15(10-13)14-6-8-21-9-7-14/h1-5,10-11,14,21H,6-9,12H2
InChIKeyQSASDCPQOIFQLI-UHFFFAOYSA-N
MW303.35 g/mol
LogP4.01
Rot. Bonds4

About 4-[3-[(2,4-difluorophenoxy)methyl]phenyl]piperidine

4-[3-[(2,4-difluorophenoxy)methyl]phenyl]piperidine (PubChem CID 91166199) has the molecular formula C18H19F2NO and a molecular weight of 303.35 g/mol. Its IUPAC name is 4-[3-[(2,4-difluorophenoxy)methyl]phenyl]piperidine.

Molecular Properties

Compound Name4-[3-[(2,4-difluorophenoxy)methyl]phenyl]piperidine
PubChem CID91166199
Molecular FormulaC18H19F2NO
Molecular Weight303.35 g/mol
Exact Mass303.14
IUPAC Name4-[3-[(2,4-difluorophenoxy)methyl]phenyl]piperidine
SMILESFc1ccc(OCc2cccc(C3CCNCC3)c2)c(F)c1
InChIInChI=1S/C18H19F2NO/c19-16-4-5-18(17(20)11-16)22-12-13-2-1-3-15(10-13)14-6-8-21-9-7-14/h1-5,10-11,14,21H,6-9,12H2
InChIKeyQSASDCPQOIFQLI-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-[(2-methoxyphenoxy)methyl]phenyl]piperidine
CID 91230339
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1-[(3-bromophenyl)methoxy]-2,4-difluorobenzene
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4-(3-piperidin-4-ylphenyl)piperidine
CID 91123464
1-[[3-[(2,4-difluorophenoxy)methyl]phenyl]methyl]-2-phenylhydrazine
CID 169384938
4-[3-(2,2,2-trifluoroethyl)phenyl]piperidine
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2-(5-fluoro-2-methoxyphenyl)-N-(3-piperidin-4-ylphenyl)acetamide
CID 172895402
N-[(3-cyclopropylphenyl)methyl]-2,4-difluoroaniline
CID 79979330
4-(chloromethyl)-2-fluoro-1-[(3-fluorophenyl)methoxy]benzene
CID 107691116
3-[(2,4-difluorophenoxy)methyl]benzenecarboximidamide
CID 24704765
4-[3-(4,4-dimethylcyclohexyl)phenyl]piperidine
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4-(3-ethyl-5-fluorophenyl)piperidine
CID 84779770

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2,4-difluorophenoxy)methyl]phenyl]piperidine?
The IUPAC name of 4-[3-[(2,4-difluorophenoxy)methyl]phenyl]piperidine (CID 91166199) is 4-[3-[(2,4-difluorophenoxy)methyl]phenyl]piperidine.
What is the SMILES notation for 4-[3-[(2,4-difluorophenoxy)methyl]phenyl]piperidine?
The canonical SMILES for 4-[3-[(2,4-difluorophenoxy)methyl]phenyl]piperidine is Fc1ccc(OCc2cccc(C3CCNCC3)c2)c(F)c1.
What is the InChIKey of 4-[3-[(2,4-difluorophenoxy)methyl]phenyl]piperidine?
The InChIKey is QSASDCPQOIFQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO/c19-16-4-5-18(17(20)11-16)22-12-13-2-1-3-15(10-13)14-6-8-21-9-7-14/h1-5,10-11,14,21H,6-9,12H2.
What are the key properties of 4-[3-[(2,4-difluorophenoxy)methyl]phenyl]piperidine?
4-[3-[(2,4-difluorophenoxy)methyl]phenyl]piperidine has a molecular weight of 303.35 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2,4-difluorophenoxy)methyl]phenyl]piperidine is sourced from PubChem (CID 91166199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).