4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-1H-indole;dihydrochloride

C19H22Cl2FN3 — CID 2729522

IUPAC4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-1H-indole;dihydrochloride
SMILESCl.Cl.Fc1ccccc1CN1CCN(c2cccc3[nH]ccc23)CC1
InChIInChI=1S/C19H20FN3.2ClH/c20-17-5-2-1-4-15(17)14-22-10-12-23(13-11-22)19-7-3-6-18-16(19)8-9-21-18;;/h1-9,21H,10-14H2;2*1H
InChIKeyJCEZFMSMFKORRJ-UHFFFAOYSA-N
MW382.31 g/mol
LogP4.47
Rot. Bonds3

About 4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-1H-indole;dihydrochloride

4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-1H-indole;dihydrochloride (PubChem CID 2729522) has the molecular formula C19H22Cl2FN3 and a molecular weight of 382.31 g/mol. Its IUPAC name is 4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-1H-indole;dihydrochloride.

Molecular Properties

Compound Name4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-1H-indole;dihydrochloride
PubChem CID2729522
Molecular FormulaC19H22Cl2FN3
Molecular Weight382.31 g/mol
Exact Mass381.12
IUPAC Name4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-1H-indole;dihydrochloride
SMILESCl.Cl.Fc1ccccc1CN1CCN(c2cccc3[nH]ccc23)CC1
InChIInChI=1S/C19H20FN3.2ClH/c20-17-5-2-1-4-15(17)14-22-10-12-23(13-11-22)19-7-3-6-18-16(19)8-9-21-18;;/h1-9,21H,10-14H2;2*1H
InChIKeyJCEZFMSMFKORRJ-UHFFFAOYSA-N
XLogP4.47
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.31
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-1H-indole;dihydrochloride?
The IUPAC name of 4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-1H-indole;dihydrochloride (CID 2729522) is 4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-1H-indole;dihydrochloride.
What is the SMILES notation for 4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-1H-indole;dihydrochloride?
The canonical SMILES for 4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-1H-indole;dihydrochloride is Cl.Cl.Fc1ccccc1CN1CCN(c2cccc3[nH]ccc23)CC1.
What is the InChIKey of 4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-1H-indole;dihydrochloride?
The InChIKey is JCEZFMSMFKORRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3.2ClH/c20-17-5-2-1-4-15(17)14-22-10-12-23(13-11-22)19-7-3-6-18-16(19)8-9-21-18;;/h1-9,21H,10-14H2;2*1H.
What are the key properties of 4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-1H-indole;dihydrochloride?
4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-1H-indole;dihydrochloride has a molecular weight of 382.31 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-1H-indole;dihydrochloride is sourced from PubChem (CID 2729522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).