4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[(4-bromophenyl)methyl]piperidine

C27H28BrF2NO — CID 10875649

IUPAC4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[(4-bromophenyl)methyl]piperidine
SMILESFc1ccc(C(OCCC2CCN(Cc3ccc(Br)cc3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C27H28BrF2NO/c28-24-7-1-21(2-8-24)19-31-16-13-20(14-17-31)15-18-32-27(22-3-9-25(29)10-4-22)23-5-11-26(30)12-6-23/h1-12,20,27H,13-19H2
InChIKeyZAHWWNVXUBSWJT-UHFFFAOYSA-N
MW500.43 g/mol
LogP7.14
Rot. Bonds8

About 4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[(4-bromophenyl)methyl]piperidine

4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[(4-bromophenyl)methyl]piperidine (PubChem CID 10875649) has the molecular formula C27H28BrF2NO and a molecular weight of 500.43 g/mol. Its IUPAC name is 4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[(4-bromophenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[(4-bromophenyl)methyl]piperidine
PubChem CID10875649
Molecular FormulaC27H28BrF2NO
Molecular Weight500.43 g/mol
Exact Mass499.13
IUPAC Name4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[(4-bromophenyl)methyl]piperidine
SMILESFc1ccc(C(OCCC2CCN(Cc3ccc(Br)cc3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C27H28BrF2NO/c28-24-7-1-21(2-8-24)19-31-16-13-20(14-17-31)15-18-32-27(22-3-9-25(29)10-4-22)23-5-11-26(30)12-6-23/h1-12,20,27H,13-19H2
InChIKeyZAHWWNVXUBSWJT-UHFFFAOYSA-N
XLogP7.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.43
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[(4-fluorophenyl)methyl]piperidine
CID 11016872
1-benzyl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine
CID 10025195
4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-(naphthalen-2-ylmethyl)piperidine
CID 10367506
4-[2-[bis(4-bromophenyl)methoxy]ethyl]-1-(3-phenylpropyl)piperidine
CID 10507287
(2S)-1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-3-phenylpropan-2-amine
CID 11650367
1-[2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl]pyrrolidine chloride
CID 53347186
1-[2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl]pyrrolidine;hydrochloride
CID 3024525
1-[(4-fluorophenyl)methyl]-4-(2-phenylperoxyethyl)piperidine
CID 90197963
4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[(3R)-3-phenylbutyl]piperidine
CID 11628203
N-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 7346266
(2S)-1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-3-phenylpropan-2-amine;oxalic acid
CID 11650366
4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidine
CID 11102187

Frequently Asked Questions

What is the IUPAC name of 4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[(4-bromophenyl)methyl]piperidine?
The IUPAC name of 4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[(4-bromophenyl)methyl]piperidine (CID 10875649) is 4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[(4-bromophenyl)methyl]piperidine.
What is the SMILES notation for 4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[(4-bromophenyl)methyl]piperidine?
The canonical SMILES for 4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[(4-bromophenyl)methyl]piperidine is Fc1ccc(C(OCCC2CCN(Cc3ccc(Br)cc3)CC2)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[(4-bromophenyl)methyl]piperidine?
The InChIKey is ZAHWWNVXUBSWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28BrF2NO/c28-24-7-1-21(2-8-24)19-31-16-13-20(14-17-31)15-18-32-27(22-3-9-25(29)10-4-22)23-5-11-26(30)12-6-23/h1-12,20,27H,13-19H2.
What are the key properties of 4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[(4-bromophenyl)methyl]piperidine?
4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[(4-bromophenyl)methyl]piperidine has a molecular weight of 500.43 g/mol, XLogP of 7.14, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[(4-bromophenyl)methyl]piperidine is sourced from PubChem (CID 10875649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).