3-[(3-bromophenyl)methoxy]-4-(4-methylphenyl)-4-phenylmethoxypiperidine

C26H28BrNO2 — CID 142939166

IUPAC3-[(3-bromophenyl)methoxy]-4-(4-methylphenyl)-4-phenylmethoxypiperidine
SMILESCc1ccc(C2(OCc3ccccc3)CCNCC2OCc2cccc(Br)c2)cc1
InChIInChI=1S/C26H28BrNO2/c1-20-10-12-23(13-11-20)26(30-19-21-6-3-2-4-7-21)14-15-28-17-25(26)29-18-22-8-5-9-24(27)16-22/h2-13,16,25,28H,14-15,17-19H2,1H3
InChIKeyXYLUEWPRMCOPLY-UHFFFAOYSA-N
MW466.42 g/mol
LogP5.75
Rot. Bonds7

About 3-[(3-bromophenyl)methoxy]-4-(4-methylphenyl)-4-phenylmethoxypiperidine

3-[(3-bromophenyl)methoxy]-4-(4-methylphenyl)-4-phenylmethoxypiperidine (PubChem CID 142939166) has the molecular formula C26H28BrNO2 and a molecular weight of 466.42 g/mol. Its IUPAC name is 3-[(3-bromophenyl)methoxy]-4-(4-methylphenyl)-4-phenylmethoxypiperidine.

Molecular Properties

Compound Name3-[(3-bromophenyl)methoxy]-4-(4-methylphenyl)-4-phenylmethoxypiperidine
PubChem CID142939166
Molecular FormulaC26H28BrNO2
Molecular Weight466.42 g/mol
Exact Mass465.13
IUPAC Name3-[(3-bromophenyl)methoxy]-4-(4-methylphenyl)-4-phenylmethoxypiperidine
SMILESCc1ccc(C2(OCc3ccccc3)CCNCC2OCc2cccc(Br)c2)cc1
InChIInChI=1S/C26H28BrNO2/c1-20-10-12-23(13-11-20)26(30-19-21-6-3-2-4-7-21)14-15-28-17-25(26)29-18-22-8-5-9-24(27)16-22/h2-13,16,25,28H,14-15,17-19H2,1H3
InChIKeyXYLUEWPRMCOPLY-UHFFFAOYSA-N
XLogP5.75
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.42
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Bromo-benzyloxy)-4-phenyl-piperidine
CID 44367995
(R)-2-(2-bromophenyl)-1-((S)-morpholin-2-yl)-1-phenylethanol
CID 44410093
(3R,4R)-4-(4-Bromophenyl)-3-(2-naphthylmethoxy)piperidine
CID 49867582
2-(3-Bromophenyl)-2-methylmorpholine
CID 84031537
(3S,4S)-3-[(4-bromophenyl)methoxy]-4-(4-fluorophenyl)-4-phenylmethoxypiperidine
CID 10389969
3-[(4-Bromophenyl)methoxy]-4-(4-fluorophenyl)-4-phenylmethoxypiperidine
CID 22058353
(3R,4R)-3-[(4-bromophenyl)methoxy]-4-(4-fluorophenyl)-4-phenylmethoxypiperidine
CID 60017448
(3S,4R)-3-[(4-bromophenyl)methoxy]-4-(4-fluorophenyl)-4-phenylmethoxypiperidine
CID 69663537
4-(4-Methylphenyl)-4-phenylmethoxy-3-[(2,4,6-trifluorophenyl)methoxy]piperidine
CID 142939158
4-(Cyclohexa-1,3-dien-1-ylmethoxy)-3-[(2,6-difluorophenyl)methoxy]-4-(4-methylphenyl)piperidine
CID 142939174
4-[1-(3-Bromo-5-fluorophenyl)ethoxymethyl]-4-phenylpiperidine
CID 143563775
4-[[3-Bromo-5-(4-fluorophenyl)phenyl]methoxymethyl]-4-phenylpiperidine
CID 143563792

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)methoxy]-4-(4-methylphenyl)-4-phenylmethoxypiperidine?
The IUPAC name of 3-[(3-bromophenyl)methoxy]-4-(4-methylphenyl)-4-phenylmethoxypiperidine (CID 142939166) is 3-[(3-bromophenyl)methoxy]-4-(4-methylphenyl)-4-phenylmethoxypiperidine.
What is the SMILES notation for 3-[(3-bromophenyl)methoxy]-4-(4-methylphenyl)-4-phenylmethoxypiperidine?
The canonical SMILES for 3-[(3-bromophenyl)methoxy]-4-(4-methylphenyl)-4-phenylmethoxypiperidine is Cc1ccc(C2(OCc3ccccc3)CCNCC2OCc2cccc(Br)c2)cc1.
What is the InChIKey of 3-[(3-bromophenyl)methoxy]-4-(4-methylphenyl)-4-phenylmethoxypiperidine?
The InChIKey is XYLUEWPRMCOPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28BrNO2/c1-20-10-12-23(13-11-20)26(30-19-21-6-3-2-4-7-21)14-15-28-17-25(26)29-18-22-8-5-9-24(27)16-22/h2-13,16,25,28H,14-15,17-19H2,1H3.
What are the key properties of 3-[(3-bromophenyl)methoxy]-4-(4-methylphenyl)-4-phenylmethoxypiperidine?
3-[(3-bromophenyl)methoxy]-4-(4-methylphenyl)-4-phenylmethoxypiperidine has a molecular weight of 466.42 g/mol, XLogP of 5.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)methoxy]-4-(4-methylphenyl)-4-phenylmethoxypiperidine is sourced from PubChem (CID 142939166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).