2-[[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methyl]-1H-indole

C29H30F2N2O — CID 10994187

IUPAC2-[[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methyl]-1H-indole
SMILESFc1ccc(C(OCCC2CCN(Cc3cc4ccccc4[nH]3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C29H30F2N2O/c30-25-9-5-22(6-10-25)29(23-7-11-26(31)12-8-23)34-18-15-21-13-16-33(17-14-21)20-27-19-24-3-1-2-4-28(24)32-27/h1-12,19,21,29,32H,13-18,20H2
InChIKeyYXXIVPQOYVBQQR-UHFFFAOYSA-N
MW460.57 g/mol
LogP6.85
Rot. Bonds8

About 2-[[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methyl]-1H-indole

2-[[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methyl]-1H-indole (PubChem CID 10994187) has the molecular formula C29H30F2N2O and a molecular weight of 460.57 g/mol. Its IUPAC name is 2-[[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methyl]-1H-indole.

Molecular Properties

Compound Name2-[[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methyl]-1H-indole
PubChem CID10994187
Molecular FormulaC29H30F2N2O
Molecular Weight460.57 g/mol
Exact Mass460.23
IUPAC Name2-[[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methyl]-1H-indole
SMILESFc1ccc(C(OCCC2CCN(Cc3cc4ccccc4[nH]3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C29H30F2N2O/c30-25-9-5-22(6-10-25)29(23-7-11-26(31)12-8-23)34-18-15-21-13-16-33(17-14-21)20-27-19-24-3-1-2-4-28(24)32-27/h1-12,19,21,29,32H,13-18,20H2
InChIKeyYXXIVPQOYVBQQR-UHFFFAOYSA-N
XLogP6.85
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.57
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methyl]-1H-indole?
The IUPAC name of 2-[[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methyl]-1H-indole (CID 10994187) is 2-[[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methyl]-1H-indole.
What is the SMILES notation for 2-[[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methyl]-1H-indole?
The canonical SMILES for 2-[[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methyl]-1H-indole is Fc1ccc(C(OCCC2CCN(Cc3cc4ccccc4[nH]3)CC2)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methyl]-1H-indole?
The InChIKey is YXXIVPQOYVBQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F2N2O/c30-25-9-5-22(6-10-25)29(23-7-11-26(31)12-8-23)34-18-15-21-13-16-33(17-14-21)20-27-19-24-3-1-2-4-28(24)32-27/h1-12,19,21,29,32H,13-18,20H2.
What are the key properties of 2-[[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methyl]-1H-indole?
2-[[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methyl]-1H-indole has a molecular weight of 460.57 g/mol, XLogP of 6.85, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methyl]-1H-indole is sourced from PubChem (CID 10994187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).