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

C27H28F3NO — CID 11016872

IUPAC4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[(4-fluorophenyl)methyl]piperidine
SMILESFc1ccc(CN2CCC(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C27H28F3NO/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
InChIKeyJZJFVHHIWMRMJW-UHFFFAOYSA-N
MW439.52 g/mol
LogP6.51
Rot. Bonds8

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

4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[(4-fluorophenyl)methyl]piperidine (PubChem CID 11016872) has the molecular formula C27H28F3NO and a molecular weight of 439.52 g/mol. Its IUPAC name is 4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[(4-fluorophenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[(4-fluorophenyl)methyl]piperidine
PubChem CID11016872
Molecular FormulaC27H28F3NO
Molecular Weight439.52 g/mol
Exact Mass439.21
IUPAC Name4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[(4-fluorophenyl)methyl]piperidine
SMILESFc1ccc(CN2CCC(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C27H28F3NO/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
InChIKeyJZJFVHHIWMRMJW-UHFFFAOYSA-N
XLogP6.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.52
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[(4-bromophenyl)methyl]piperidine
CID 10875649
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
(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
(2S)-1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-3-phenylpropan-2-amine;oxalic acid
CID 11650366
1-[(4-fluorophenyl)methyl]-4-(2-phenylperoxyethyl)piperidine
CID 90197963
4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidine
CID 11102187
8-[1-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-4-yl]octanoic acid
CID 67750378
4-(2-benzhydryloxyethyl)-3-ethoxy-1-[(4-fluorophenyl)methyl]piperidine
CID 143838823
4-(2-benzhydryloxyethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 44529538
1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981

Frequently Asked Questions

What is the IUPAC name of 4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[(4-fluorophenyl)methyl]piperidine?
The IUPAC name of 4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[(4-fluorophenyl)methyl]piperidine (CID 11016872) is 4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[(4-fluorophenyl)methyl]piperidine.
What is the SMILES notation for 4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[(4-fluorophenyl)methyl]piperidine?
The canonical SMILES for 4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[(4-fluorophenyl)methyl]piperidine is Fc1ccc(CN2CCC(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[(4-fluorophenyl)methyl]piperidine?
The InChIKey is JZJFVHHIWMRMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3NO/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-fluorophenyl)methyl]piperidine?
4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[(4-fluorophenyl)methyl]piperidine has a molecular weight of 439.52 g/mol, XLogP of 6.51, 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-fluorophenyl)methyl]piperidine is sourced from PubChem (CID 11016872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).