4-[[3-bromo-5-(4-fluorophenyl)phenyl]methoxymethyl]-4-phenylpiperidine

C25H25BrFNO — CID 143563792

IUPAC4-[[3-bromo-5-(4-fluorophenyl)phenyl]methoxymethyl]-4-phenylpiperidine
SMILESFc1ccc(-c2cc(Br)cc(COCC3(c4ccccc4)CCNCC3)c2)cc1
InChIInChI=1S/C25H25BrFNO/c26-23-15-19(14-21(16-23)20-6-8-24(27)9-7-20)17-29-18-25(10-12-28-13-11-25)22-4-2-1-3-5-22/h1-9,14-16,28H,10-13,17-18H2
InChIKeyPMVSKZQJUZEKEF-UHFFFAOYSA-N
MW454.38 g/mol
LogP6.09
Rot. Bonds6

About 4-[[3-bromo-5-(4-fluorophenyl)phenyl]methoxymethyl]-4-phenylpiperidine

4-[[3-bromo-5-(4-fluorophenyl)phenyl]methoxymethyl]-4-phenylpiperidine (PubChem CID 143563792) has the molecular formula C25H25BrFNO and a molecular weight of 454.38 g/mol. Its IUPAC name is 4-[[3-bromo-5-(4-fluorophenyl)phenyl]methoxymethyl]-4-phenylpiperidine.

Molecular Properties

Compound Name4-[[3-bromo-5-(4-fluorophenyl)phenyl]methoxymethyl]-4-phenylpiperidine
PubChem CID143563792
Molecular FormulaC25H25BrFNO
Molecular Weight454.38 g/mol
Exact Mass453.11
IUPAC Name4-[[3-bromo-5-(4-fluorophenyl)phenyl]methoxymethyl]-4-phenylpiperidine
SMILESFc1ccc(-c2cc(Br)cc(COCC3(c4ccccc4)CCNCC3)c2)cc1
InChIInChI=1S/C25H25BrFNO/c26-23-15-19(14-21(16-23)20-6-8-24(27)9-7-20)17-29-18-25(10-12-28-13-11-25)22-4-2-1-3-5-22/h1-9,14-16,28H,10-13,17-18H2
InChIKeyPMVSKZQJUZEKEF-UHFFFAOYSA-N
XLogP6.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.38
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-bromo-5-(4-fluorophenyl)phenyl]methoxymethyl]-4-phenylpiperidine?
The IUPAC name of 4-[[3-bromo-5-(4-fluorophenyl)phenyl]methoxymethyl]-4-phenylpiperidine (CID 143563792) is 4-[[3-bromo-5-(4-fluorophenyl)phenyl]methoxymethyl]-4-phenylpiperidine.
What is the SMILES notation for 4-[[3-bromo-5-(4-fluorophenyl)phenyl]methoxymethyl]-4-phenylpiperidine?
The canonical SMILES for 4-[[3-bromo-5-(4-fluorophenyl)phenyl]methoxymethyl]-4-phenylpiperidine is Fc1ccc(-c2cc(Br)cc(COCC3(c4ccccc4)CCNCC3)c2)cc1.
What is the InChIKey of 4-[[3-bromo-5-(4-fluorophenyl)phenyl]methoxymethyl]-4-phenylpiperidine?
The InChIKey is PMVSKZQJUZEKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrFNO/c26-23-15-19(14-21(16-23)20-6-8-24(27)9-7-20)17-29-18-25(10-12-28-13-11-25)22-4-2-1-3-5-22/h1-9,14-16,28H,10-13,17-18H2.
What are the key properties of 4-[[3-bromo-5-(4-fluorophenyl)phenyl]methoxymethyl]-4-phenylpiperidine?
4-[[3-bromo-5-(4-fluorophenyl)phenyl]methoxymethyl]-4-phenylpiperidine has a molecular weight of 454.38 g/mol, XLogP of 6.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-bromo-5-(4-fluorophenyl)phenyl]methoxymethyl]-4-phenylpiperidine is sourced from PubChem (CID 143563792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).