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

C30H33F2NO — CID 11713731

IUPAC4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine
SMILESFc1ccc(C(OCCC2CCN(C[C@@H]3C[C@H]3c3ccccc3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C30H33F2NO/c31-27-10-6-24(7-11-27)30(25-8-12-28(32)13-9-25)34-19-16-22-14-17-33(18-15-22)21-26-20-29(26)23-4-2-1-3-5-23/h1-13,22,26,29-30H,14-21H2/t26-,29-/m0/s1
InChIKeyOKMFPHWGPZHZKX-WNJJXGMVSA-N
MW461.60 g/mol
LogP6.98
Rot. Bonds9

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

4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine (PubChem CID 11713731) has the molecular formula C30H33F2NO and a molecular weight of 461.60 g/mol. Its IUPAC name is 4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine.

Molecular Properties

Compound Name4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine
PubChem CID11713731
Molecular FormulaC30H33F2NO
Molecular Weight461.60 g/mol
Exact Mass461.25
IUPAC Name4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine
SMILESFc1ccc(C(OCCC2CCN(C[C@@H]3C[C@H]3c3ccccc3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C30H33F2NO/c31-27-10-6-24(7-11-27)30(25-8-12-28(32)13-9-25)34-19-16-22-14-17-33(18-15-22)21-26-20-29(26)23-4-2-1-3-5-23/h1-13,22,26,29-30H,14-21H2/t26-,29-/m0/s1
InChIKeyOKMFPHWGPZHZKX-WNJJXGMVSA-N
XLogP6.98
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.60
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Diphenylpyraline
CID 3103
Vanoxerine
CID 3455
1-(2-(Diphenylmethoxy)ethyl)-4-(3-phenylpropyl)piperazine
CID 3456
1-(4-(2-(Bis(4-fluorophenyl)methoxy)ethyl)piperazinyl)-3-phenylpropan-2-ol
CID 20443037
1-(2-(Bis(4-fluorophenyl)methoxy)ethyl)-4-(3-phenyl-2-propenyl)piperazine
CID 5974189
(2S)-1-(4-{2-[bis(4-fluorophenyl)methoxy]ethyl}piperazin-1-yl)-3-phenylpropan-2-ol
CID 10479666
4-[2-(Diphenylmethoxy)ethyl]-1-[(4-iodophenyl)methyl]piperidine
CID 9914327
Vanoxerine dihydrochloride
CID 104920
(2R)-1-(4-{2-[bis(4-fluorophenyl)methoxy]ethyl}piperazin-1-yl)-3-phenylpropan-2-ol
CID 11102683
1-{2-[Bis(4-fluorophenyl)methoxy]ethyl}-4-(2-phenylethyl)piperazine
CID 12634880
1-[(2S)-2-benzylpropyl]-4-{2-[bis(4-fluorophenyl)methoxy]ethyl}piperazine
CID 24825318
1-[(2R)-2-benzylpropyl]-4-{2-[bis(4-fluorophenyl)methoxy]ethyl}piperazine
CID 24825319

Frequently Asked Questions

What is the IUPAC name of 4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine?
The IUPAC name of 4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine (CID 11713731) is 4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine.
What is the SMILES notation for 4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine?
The canonical SMILES for 4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine is Fc1ccc(C(OCCC2CCN(C[C@@H]3C[C@H]3c3ccccc3)CC2)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine?
The InChIKey is OKMFPHWGPZHZKX-WNJJXGMVSA-N. The full InChI is InChI=1S/C30H33F2NO/c31-27-10-6-24(7-11-27)30(25-8-12-28(32)13-9-25)34-19-16-22-14-17-33(18-15-22)21-26-20-29(26)23-4-2-1-3-5-23/h1-13,22,26,29-30H,14-21H2/t26-,29-/m0/s1.
What are the key properties of 4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine?
4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine has a molecular weight of 461.60 g/mol, XLogP of 6.98, 9 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-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine is sourced from PubChem (CID 11713731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).