4-[1-(3-bromo-5-fluorophenyl)ethoxymethyl]-4-phenylpiperidine

C20H23BrFNO — CID 143563775

IUPAC4-[1-(3-bromo-5-fluorophenyl)ethoxymethyl]-4-phenylpiperidine
SMILESCC(OCC1(c2ccccc2)CCNCC1)c1cc(F)cc(Br)c1
InChIInChI=1S/C20H23BrFNO/c1-15(16-11-18(21)13-19(22)12-16)24-14-20(7-9-23-10-8-20)17-5-3-2-4-6-17/h2-6,11-13,15,23H,7-10,14H2,1H3
InChIKeyPCNVQSBKOKANRW-UHFFFAOYSA-N
MW392.31 g/mol
LogP4.99
Rot. Bonds5

About 4-[1-(3-bromo-5-fluorophenyl)ethoxymethyl]-4-phenylpiperidine

4-[1-(3-bromo-5-fluorophenyl)ethoxymethyl]-4-phenylpiperidine (PubChem CID 143563775) has the molecular formula C20H23BrFNO and a molecular weight of 392.31 g/mol. Its IUPAC name is 4-[1-(3-bromo-5-fluorophenyl)ethoxymethyl]-4-phenylpiperidine.

Molecular Properties

Compound Name4-[1-(3-bromo-5-fluorophenyl)ethoxymethyl]-4-phenylpiperidine
PubChem CID143563775
Molecular FormulaC20H23BrFNO
Molecular Weight392.31 g/mol
Exact Mass391.09
IUPAC Name4-[1-(3-bromo-5-fluorophenyl)ethoxymethyl]-4-phenylpiperidine
SMILESCC(OCC1(c2ccccc2)CCNCC1)c1cc(F)cc(Br)c1
InChIInChI=1S/C20H23BrFNO/c1-15(16-11-18(21)13-19(22)12-16)24-14-20(7-9-23-10-8-20)17-5-3-2-4-6-17/h2-6,11-13,15,23H,7-10,14H2,1H3
InChIKeyPCNVQSBKOKANRW-UHFFFAOYSA-N
XLogP4.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.31
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-bromo-5-fluorophenyl)ethoxymethyl]-4-phenylpiperidine?
The IUPAC name of 4-[1-(3-bromo-5-fluorophenyl)ethoxymethyl]-4-phenylpiperidine (CID 143563775) is 4-[1-(3-bromo-5-fluorophenyl)ethoxymethyl]-4-phenylpiperidine.
What is the SMILES notation for 4-[1-(3-bromo-5-fluorophenyl)ethoxymethyl]-4-phenylpiperidine?
The canonical SMILES for 4-[1-(3-bromo-5-fluorophenyl)ethoxymethyl]-4-phenylpiperidine is CC(OCC1(c2ccccc2)CCNCC1)c1cc(F)cc(Br)c1.
What is the InChIKey of 4-[1-(3-bromo-5-fluorophenyl)ethoxymethyl]-4-phenylpiperidine?
The InChIKey is PCNVQSBKOKANRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrFNO/c1-15(16-11-18(21)13-19(22)12-16)24-14-20(7-9-23-10-8-20)17-5-3-2-4-6-17/h2-6,11-13,15,23H,7-10,14H2,1H3.
What are the key properties of 4-[1-(3-bromo-5-fluorophenyl)ethoxymethyl]-4-phenylpiperidine?
4-[1-(3-bromo-5-fluorophenyl)ethoxymethyl]-4-phenylpiperidine has a molecular weight of 392.31 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-bromo-5-fluorophenyl)ethoxymethyl]-4-phenylpiperidine is sourced from PubChem (CID 143563775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).