4-[2-[bis(4-bromophenyl)methoxy]ethyl]-1-(3-phenylpropyl)piperidine

C29H33Br2NO — CID 10507287

IUPAC4-[2-[bis(4-bromophenyl)methoxy]ethyl]-1-(3-phenylpropyl)piperidine
SMILESBrc1ccc(C(OCCC2CCN(CCCc3ccccc3)CC2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C29H33Br2NO/c30-27-12-8-25(9-13-27)29(26-10-14-28(31)15-11-26)33-22-18-24-16-20-32(21-17-24)19-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,24,29H,4,7,16-22H2
InChIKeyYOYPNARDKFMVGY-UHFFFAOYSA-N
MW571.40 g/mol
LogP8.05
Rot. Bonds10

About 4-[2-[bis(4-bromophenyl)methoxy]ethyl]-1-(3-phenylpropyl)piperidine

4-[2-[bis(4-bromophenyl)methoxy]ethyl]-1-(3-phenylpropyl)piperidine (PubChem CID 10507287) has the molecular formula C29H33Br2NO and a molecular weight of 571.40 g/mol. Its IUPAC name is 4-[2-[bis(4-bromophenyl)methoxy]ethyl]-1-(3-phenylpropyl)piperidine.

Molecular Properties

Compound Name4-[2-[bis(4-bromophenyl)methoxy]ethyl]-1-(3-phenylpropyl)piperidine
PubChem CID10507287
Molecular FormulaC29H33Br2NO
Molecular Weight571.40 g/mol
Exact Mass569.09
IUPAC Name4-[2-[bis(4-bromophenyl)methoxy]ethyl]-1-(3-phenylpropyl)piperidine
SMILESBrc1ccc(C(OCCC2CCN(CCCc3ccccc3)CC2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C29H33Br2NO/c30-27-12-8-25(9-13-27)29(26-10-14-28(31)15-11-26)33-22-18-24-16-20-32(21-17-24)19-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,24,29H,4,7,16-22H2
InChIKeyYOYPNARDKFMVGY-UHFFFAOYSA-N
XLogP8.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.40
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[bis(4-methoxyphenyl)methoxy]ethyl]-1-(3-phenylpropyl)piperidine
CID 11798707
4-(2-benzhydryloxyethyl)-1-(2-phenylethyl)piperidine
CID 10046504
4-[2-[(4-fluorophenyl)-thiophen-2-ylmethoxy]ethyl]-1-(3-phenylpropyl)piperidine
CID 10812888
4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[(4-bromophenyl)methyl]piperidine
CID 10875649
1-[2-[bis(4-chlorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine
CID 176945327
1-benzyl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine
CID 10025195
1-(2-benzhydryloxyethyl)-4-benzylpiperidine
CID 127026610
4-(3-phenylpropyl)-1-[4-[4-(3-phenylpropyl)piperidin-1-yl]butyl]piperidine;dihydrochloride
CID 70096793
4-[2-(4-fluorophenyl)sulfanylethyl]-1-(3-phenylpropyl)piperidine
CID 142912990
(2S)-1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-3-phenylpropan-2-amine
CID 11650367
4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[(3R)-3-phenylbutyl]piperidine
CID 11628203
3-[4-(2-benzhydryloxyethyl)piperidin-1-yl]-1-(furan-2-yl)propan-1-one
CID 170859253

Frequently Asked Questions

What is the IUPAC name of 4-[2-[bis(4-bromophenyl)methoxy]ethyl]-1-(3-phenylpropyl)piperidine?
The IUPAC name of 4-[2-[bis(4-bromophenyl)methoxy]ethyl]-1-(3-phenylpropyl)piperidine (CID 10507287) is 4-[2-[bis(4-bromophenyl)methoxy]ethyl]-1-(3-phenylpropyl)piperidine.
What is the SMILES notation for 4-[2-[bis(4-bromophenyl)methoxy]ethyl]-1-(3-phenylpropyl)piperidine?
The canonical SMILES for 4-[2-[bis(4-bromophenyl)methoxy]ethyl]-1-(3-phenylpropyl)piperidine is Brc1ccc(C(OCCC2CCN(CCCc3ccccc3)CC2)c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-[2-[bis(4-bromophenyl)methoxy]ethyl]-1-(3-phenylpropyl)piperidine?
The InChIKey is YOYPNARDKFMVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33Br2NO/c30-27-12-8-25(9-13-27)29(26-10-14-28(31)15-11-26)33-22-18-24-16-20-32(21-17-24)19-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,24,29H,4,7,16-22H2.
What are the key properties of 4-[2-[bis(4-bromophenyl)methoxy]ethyl]-1-(3-phenylpropyl)piperidine?
4-[2-[bis(4-bromophenyl)methoxy]ethyl]-1-(3-phenylpropyl)piperidine has a molecular weight of 571.40 g/mol, XLogP of 8.05, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[bis(4-bromophenyl)methoxy]ethyl]-1-(3-phenylpropyl)piperidine is sourced from PubChem (CID 10507287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).