[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(5-hydroxy-1-methylindol-2-yl)methanone

C27H25F2N3O2 — CID 10766424

IUPAC[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(5-hydroxy-1-methylindol-2-yl)methanone
SMILESCn1c(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc2cc(O)ccc21
InChIInChI=1S/C27H25F2N3O2/c1-30-24-11-10-23(33)16-20(24)17-25(30)27(34)32-14-12-31(13-15-32)26(18-2-6-21(28)7-3-18)19-4-8-22(29)9-5-19/h2-11,16-17,26,33H,12-15H2,1H3
InChIKeyJQNWDSFXHOKUBJ-UHFFFAOYSA-N
MW461.51 g/mol
LogP4.71
Rot. Bonds4

About [4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(5-hydroxy-1-methylindol-2-yl)methanone

[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(5-hydroxy-1-methylindol-2-yl)methanone (PubChem CID 10766424) has the molecular formula C27H25F2N3O2 and a molecular weight of 461.51 g/mol. Its IUPAC name is [4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(5-hydroxy-1-methylindol-2-yl)methanone.

Molecular Properties

Compound Name[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(5-hydroxy-1-methylindol-2-yl)methanone
PubChem CID10766424
Molecular FormulaC27H25F2N3O2
Molecular Weight461.51 g/mol
Exact Mass461.19
IUPAC Name[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(5-hydroxy-1-methylindol-2-yl)methanone
SMILESCn1c(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc2cc(O)ccc21
InChIInChI=1S/C27H25F2N3O2/c1-30-24-11-10-23(33)16-20(24)17-25(30)27(34)32-14-12-31(13-15-32)26(18-2-6-21(28)7-3-18)19-4-8-22(29)9-5-19/h2-11,16-17,26,33H,12-15H2,1H3
InChIKeyJQNWDSFXHOKUBJ-UHFFFAOYSA-N
XLogP4.71
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.51
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(5-hydroxy-1-methylindol-2-yl)methanone?
The IUPAC name of [4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(5-hydroxy-1-methylindol-2-yl)methanone (CID 10766424) is [4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(5-hydroxy-1-methylindol-2-yl)methanone.
What is the SMILES notation for [4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(5-hydroxy-1-methylindol-2-yl)methanone?
The canonical SMILES for [4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(5-hydroxy-1-methylindol-2-yl)methanone is Cn1c(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc2cc(O)ccc21.
What is the InChIKey of [4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(5-hydroxy-1-methylindol-2-yl)methanone?
The InChIKey is JQNWDSFXHOKUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F2N3O2/c1-30-24-11-10-23(33)16-20(24)17-25(30)27(34)32-14-12-31(13-15-32)26(18-2-6-21(28)7-3-18)19-4-8-22(29)9-5-19/h2-11,16-17,26,33H,12-15H2,1H3.
What are the key properties of [4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(5-hydroxy-1-methylindol-2-yl)methanone?
[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(5-hydroxy-1-methylindol-2-yl)methanone has a molecular weight of 461.51 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(5-hydroxy-1-methylindol-2-yl)methanone is sourced from PubChem (CID 10766424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).