3-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-5-fluoro-1H-indole

C20H20Cl2FN3 — CID 171355318

IUPAC3-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-5-fluoro-1H-indole
SMILESFc1ccc2[nH]cc(CN3CCN(Cc4ccc(Cl)cc4Cl)CC3)c2c1
InChIInChI=1S/C20H20Cl2FN3/c21-16-2-1-14(19(22)9-16)12-25-5-7-26(8-6-25)13-15-11-24-20-4-3-17(23)10-18(15)20/h1-4,9-11,24H,5-8,12-13H2
InChIKeyYRBQHVQLGKYZGN-UHFFFAOYSA-N
MW392.31 g/mol
LogP4.93
Rot. Bonds4

About 3-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-5-fluoro-1H-indole

3-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-5-fluoro-1H-indole (PubChem CID 171355318) has the molecular formula C20H20Cl2FN3 and a molecular weight of 392.31 g/mol. Its IUPAC name is 3-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-5-fluoro-1H-indole.

Molecular Properties

Compound Name3-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-5-fluoro-1H-indole
PubChem CID171355318
Molecular FormulaC20H20Cl2FN3
Molecular Weight392.31 g/mol
Exact Mass391.10
IUPAC Name3-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-5-fluoro-1H-indole
SMILESFc1ccc2[nH]cc(CN3CCN(Cc4ccc(Cl)cc4Cl)CC3)c2c1
InChIInChI=1S/C20H20Cl2FN3/c21-16-2-1-14(19(22)9-16)12-25-5-7-26(8-6-25)13-15-11-24-20-4-3-17(23)10-18(15)20/h1-4,9-11,24H,5-8,12-13H2
InChIKeyYRBQHVQLGKYZGN-UHFFFAOYSA-N
XLogP4.93
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.31
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-5-fluoro-1H-indole?
The IUPAC name of 3-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-5-fluoro-1H-indole (CID 171355318) is 3-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-5-fluoro-1H-indole.
What is the SMILES notation for 3-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-5-fluoro-1H-indole?
The canonical SMILES for 3-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-5-fluoro-1H-indole is Fc1ccc2[nH]cc(CN3CCN(Cc4ccc(Cl)cc4Cl)CC3)c2c1.
What is the InChIKey of 3-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-5-fluoro-1H-indole?
The InChIKey is YRBQHVQLGKYZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2FN3/c21-16-2-1-14(19(22)9-16)12-25-5-7-26(8-6-25)13-15-11-24-20-4-3-17(23)10-18(15)20/h1-4,9-11,24H,5-8,12-13H2.
What are the key properties of 3-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-5-fluoro-1H-indole?
3-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-5-fluoro-1H-indole has a molecular weight of 392.31 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-5-fluoro-1H-indole is sourced from PubChem (CID 171355318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).