4-[[2-fluoro-5-(4-fluorophenyl)phenyl]methyl]piperidine

C18H19F2N — CID 117463711

IUPAC4-[[2-fluoro-5-(4-fluorophenyl)phenyl]methyl]piperidine
SMILESFc1ccc(-c2ccc(F)c(CC3CCNCC3)c2)cc1
InChIInChI=1S/C18H19F2N/c19-17-4-1-14(2-5-17)15-3-6-18(20)16(12-15)11-13-7-9-21-10-8-13/h1-6,12-13,21H,7-11H2
InChIKeyMMPYJPXCGNXFNX-UHFFFAOYSA-N
MW287.35 g/mol
LogP4.17
Rot. Bonds3

About 4-[[2-fluoro-5-(4-fluorophenyl)phenyl]methyl]piperidine

4-[[2-fluoro-5-(4-fluorophenyl)phenyl]methyl]piperidine (PubChem CID 117463711) has the molecular formula C18H19F2N and a molecular weight of 287.35 g/mol. Its IUPAC name is 4-[[2-fluoro-5-(4-fluorophenyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name4-[[2-fluoro-5-(4-fluorophenyl)phenyl]methyl]piperidine
PubChem CID117463711
Molecular FormulaC18H19F2N
Molecular Weight287.35 g/mol
Exact Mass287.15
IUPAC Name4-[[2-fluoro-5-(4-fluorophenyl)phenyl]methyl]piperidine
SMILESFc1ccc(-c2ccc(F)c(CC3CCNCC3)c2)cc1
InChIInChI=1S/C18H19F2N/c19-17-4-1-14(2-5-17)15-3-6-18(20)16(12-15)11-13-7-9-21-10-8-13/h1-6,12-13,21H,7-11H2
InChIKeyMMPYJPXCGNXFNX-UHFFFAOYSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 83262438
4-[(2-fluorophenyl)methyl]piperidine;hydrochloride
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CID 18669392
2,5-difluoro-4-(piperidin-4-ylmethyl)phenol
CID 117326872
4-[3-(2,4-difluorophenyl)propyl]piperidine
CID 21180653
4-[(2,3,4,5-tetrafluorophenyl)methyl]piperidine
CID 117117923
4-[3-(2,4-difluorophenyl)propyl]piperidine;hydrochloride
CID 21180652
N-[(2,5-difluorophenyl)methyl]-2-(piperidin-4-ylmethyl)benzamide
CID 166209181
4-[(2,5-difluorophenyl)methyl]cyclohexan-1-ol
CID 116928452
4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386379
4-[[3-fluoro-2-(2-fluorophenoxy)phenyl]methyl]piperidine
CID 18669380
4-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidine
CID 71261709

Frequently Asked Questions

What is the IUPAC name of 4-[[2-fluoro-5-(4-fluorophenyl)phenyl]methyl]piperidine?
The IUPAC name of 4-[[2-fluoro-5-(4-fluorophenyl)phenyl]methyl]piperidine (CID 117463711) is 4-[[2-fluoro-5-(4-fluorophenyl)phenyl]methyl]piperidine.
What is the SMILES notation for 4-[[2-fluoro-5-(4-fluorophenyl)phenyl]methyl]piperidine?
The canonical SMILES for 4-[[2-fluoro-5-(4-fluorophenyl)phenyl]methyl]piperidine is Fc1ccc(-c2ccc(F)c(CC3CCNCC3)c2)cc1.
What is the InChIKey of 4-[[2-fluoro-5-(4-fluorophenyl)phenyl]methyl]piperidine?
The InChIKey is MMPYJPXCGNXFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N/c19-17-4-1-14(2-5-17)15-3-6-18(20)16(12-15)11-13-7-9-21-10-8-13/h1-6,12-13,21H,7-11H2.
What are the key properties of 4-[[2-fluoro-5-(4-fluorophenyl)phenyl]methyl]piperidine?
4-[[2-fluoro-5-(4-fluorophenyl)phenyl]methyl]piperidine has a molecular weight of 287.35 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-fluoro-5-(4-fluorophenyl)phenyl]methyl]piperidine is sourced from PubChem (CID 117463711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).