3-(4-fluoro-2-methylphenyl)-4-[(3-phenylphenyl)methoxy]piperidine

C25H26FNO — CID 11610488

IUPAC3-(4-fluoro-2-methylphenyl)-4-[(3-phenylphenyl)methoxy]piperidine
SMILESCc1cc(F)ccc1C1CNCCC1OCc1cccc(-c2ccccc2)c1
InChIInChI=1S/C25H26FNO/c1-18-14-22(26)10-11-23(18)24-16-27-13-12-25(24)28-17-19-6-5-9-21(15-19)20-7-3-2-4-8-20/h2-11,14-15,24-25,27H,12-13,16-17H2,1H3
InChIKeyUPDMHNXGSZPHBM-UHFFFAOYSA-N
MW375.49 g/mol
LogP5.46
Rot. Bonds5

About 3-(4-fluoro-2-methylphenyl)-4-[(3-phenylphenyl)methoxy]piperidine

3-(4-fluoro-2-methylphenyl)-4-[(3-phenylphenyl)methoxy]piperidine (PubChem CID 11610488) has the molecular formula C25H26FNO and a molecular weight of 375.49 g/mol. Its IUPAC name is 3-(4-fluoro-2-methylphenyl)-4-[(3-phenylphenyl)methoxy]piperidine.

Molecular Properties

Compound Name3-(4-fluoro-2-methylphenyl)-4-[(3-phenylphenyl)methoxy]piperidine
PubChem CID11610488
Molecular FormulaC25H26FNO
Molecular Weight375.49 g/mol
Exact Mass375.20
IUPAC Name3-(4-fluoro-2-methylphenyl)-4-[(3-phenylphenyl)methoxy]piperidine
SMILESCc1cc(F)ccc1C1CNCCC1OCc1cccc(-c2ccccc2)c1
InChIInChI=1S/C25H26FNO/c1-18-14-22(26)10-11-23(18)24-16-27-13-12-25(24)28-17-19-6-5-9-21(15-19)20-7-3-2-4-8-20/h2-11,14-15,24-25,27H,12-13,16-17H2,1H3
InChIKeyUPDMHNXGSZPHBM-UHFFFAOYSA-N
XLogP5.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.49
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-methylphenyl)-4-[(3-phenylphenyl)methoxy]piperidine?
The IUPAC name of 3-(4-fluoro-2-methylphenyl)-4-[(3-phenylphenyl)methoxy]piperidine (CID 11610488) is 3-(4-fluoro-2-methylphenyl)-4-[(3-phenylphenyl)methoxy]piperidine.
What is the SMILES notation for 3-(4-fluoro-2-methylphenyl)-4-[(3-phenylphenyl)methoxy]piperidine?
The canonical SMILES for 3-(4-fluoro-2-methylphenyl)-4-[(3-phenylphenyl)methoxy]piperidine is Cc1cc(F)ccc1C1CNCCC1OCc1cccc(-c2ccccc2)c1.
What is the InChIKey of 3-(4-fluoro-2-methylphenyl)-4-[(3-phenylphenyl)methoxy]piperidine?
The InChIKey is UPDMHNXGSZPHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FNO/c1-18-14-22(26)10-11-23(18)24-16-27-13-12-25(24)28-17-19-6-5-9-21(15-19)20-7-3-2-4-8-20/h2-11,14-15,24-25,27H,12-13,16-17H2,1H3.
What are the key properties of 3-(4-fluoro-2-methylphenyl)-4-[(3-phenylphenyl)methoxy]piperidine?
3-(4-fluoro-2-methylphenyl)-4-[(3-phenylphenyl)methoxy]piperidine has a molecular weight of 375.49 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-methylphenyl)-4-[(3-phenylphenyl)methoxy]piperidine is sourced from PubChem (CID 11610488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).