4-[[4-fluoro-2-(4-fluorophenoxy)phenyl]methyl]piperidine

C18H19F2NO — CID 18669392

IUPAC4-[[4-fluoro-2-(4-fluorophenoxy)phenyl]methyl]piperidine
SMILESFc1ccc(Oc2cc(F)ccc2CC2CCNCC2)cc1
InChIInChI=1S/C18H19F2NO/c19-15-3-5-17(6-4-15)22-18-12-16(20)2-1-14(18)11-13-7-9-21-10-8-13/h1-6,12-13,21H,7-11H2
InChIKeyFWMHWBOXNULCBJ-UHFFFAOYSA-N
MW303.35 g/mol
LogP4.30
Rot. Bonds4

About 4-[[4-fluoro-2-(4-fluorophenoxy)phenyl]methyl]piperidine

4-[[4-fluoro-2-(4-fluorophenoxy)phenyl]methyl]piperidine (PubChem CID 18669392) has the molecular formula C18H19F2NO and a molecular weight of 303.35 g/mol. Its IUPAC name is 4-[[4-fluoro-2-(4-fluorophenoxy)phenyl]methyl]piperidine.

Molecular Properties

Compound Name4-[[4-fluoro-2-(4-fluorophenoxy)phenyl]methyl]piperidine
PubChem CID18669392
Molecular FormulaC18H19F2NO
Molecular Weight303.35 g/mol
Exact Mass303.14
IUPAC Name4-[[4-fluoro-2-(4-fluorophenoxy)phenyl]methyl]piperidine
SMILESFc1ccc(Oc2cc(F)ccc2CC2CCNCC2)cc1
InChIInChI=1S/C18H19F2NO/c19-15-3-5-17(6-4-15)22-18-12-16(20)2-1-14(18)11-13-7-9-21-10-8-13/h1-6,12-13,21H,7-11H2
InChIKeyFWMHWBOXNULCBJ-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2,5-difluorophenyl)methyl]azepane
CID 83262438
4-[[2-fluoro-5-(4-fluorophenyl)phenyl]methyl]piperidine
CID 117463711
3-[(4-fluoro-2-methoxyphenyl)methyl]piperidine
CID 84789117
4-[(5-fluoro-2,3-dimethoxyphenyl)methyl]piperidine
CID 117386378
4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386379
4-[[2-(difluoromethoxy)phenyl]methyl]piperidine
CID 117355180
4-[[3-fluoro-2-(2-fluorophenoxy)phenyl]methyl]piperidine
CID 18669380
4-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidine
CID 71261709
5-fluoro-3-(piperidin-4-ylmethyl)-2H-indazole
CID 84696784
4-[[2-(3-fluoro-2-methylphenoxy)phenyl]methyl]piperidine
CID 18669393
4-[3-(2,4-difluorophenyl)propyl]piperidine
CID 21180653
N-[[2-(cyclopropylmethoxy)-4-fluorophenyl]methyl]-1-piperidin-4-ylmethanamine
CID 171620426

Frequently Asked Questions

What is the IUPAC name of 4-[[4-fluoro-2-(4-fluorophenoxy)phenyl]methyl]piperidine?
The IUPAC name of 4-[[4-fluoro-2-(4-fluorophenoxy)phenyl]methyl]piperidine (CID 18669392) is 4-[[4-fluoro-2-(4-fluorophenoxy)phenyl]methyl]piperidine.
What is the SMILES notation for 4-[[4-fluoro-2-(4-fluorophenoxy)phenyl]methyl]piperidine?
The canonical SMILES for 4-[[4-fluoro-2-(4-fluorophenoxy)phenyl]methyl]piperidine is Fc1ccc(Oc2cc(F)ccc2CC2CCNCC2)cc1.
What is the InChIKey of 4-[[4-fluoro-2-(4-fluorophenoxy)phenyl]methyl]piperidine?
The InChIKey is FWMHWBOXNULCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO/c19-15-3-5-17(6-4-15)22-18-12-16(20)2-1-14(18)11-13-7-9-21-10-8-13/h1-6,12-13,21H,7-11H2.
What are the key properties of 4-[[4-fluoro-2-(4-fluorophenoxy)phenyl]methyl]piperidine?
4-[[4-fluoro-2-(4-fluorophenoxy)phenyl]methyl]piperidine has a molecular weight of 303.35 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-fluoro-2-(4-fluorophenoxy)phenyl]methyl]piperidine is sourced from PubChem (CID 18669392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).