1-(3-chloro-4-fluorophenyl)piperazine;dihydrochloride

C10H14Cl3FN2 — CID 2783124

IUPAC1-(3-chloro-4-fluorophenyl)piperazine;dihydrochloride
SMILESCl.Cl.Fc1ccc(N2CCNCC2)cc1Cl
InChIInChI=1S/C10H12ClFN2.2ClH/c11-9-7-8(1-2-10(9)12)14-5-3-13-4-6-14;;/h1-2,7,13H,3-6H2;2*1H
InChIKeyTVKRVCNYECGZCH-UHFFFAOYSA-N
MW287.59 g/mol
LogP2.73
Rot. Bonds1

About 1-(3-chloro-4-fluorophenyl)piperazine;dihydrochloride

1-(3-chloro-4-fluorophenyl)piperazine;dihydrochloride (PubChem CID 2783124) has the molecular formula C10H14Cl3FN2 and a molecular weight of 287.59 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)piperazine;dihydrochloride.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)piperazine;dihydrochloride
PubChem CID2783124
Molecular FormulaC10H14Cl3FN2
Molecular Weight287.59 g/mol
Exact Mass286.02
IUPAC Name1-(3-chloro-4-fluorophenyl)piperazine;dihydrochloride
SMILESCl.Cl.Fc1ccc(N2CCNCC2)cc1Cl
InChIInChI=1S/C10H12ClFN2.2ClH/c11-9-7-8(1-2-10(9)12)14-5-3-13-4-6-14;;/h1-2,7,13H,3-6H2;2*1H
InChIKeyTVKRVCNYECGZCH-UHFFFAOYSA-N
XLogP2.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.59
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)piperazine;dihydrochloride?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)piperazine;dihydrochloride (CID 2783124) is 1-(3-chloro-4-fluorophenyl)piperazine;dihydrochloride.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)piperazine;dihydrochloride?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)piperazine;dihydrochloride is Cl.Cl.Fc1ccc(N2CCNCC2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)piperazine;dihydrochloride?
The InChIKey is TVKRVCNYECGZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2.2ClH/c11-9-7-8(1-2-10(9)12)14-5-3-13-4-6-14;;/h1-2,7,13H,3-6H2;2*1H.
What are the key properties of 1-(3-chloro-4-fluorophenyl)piperazine;dihydrochloride?
1-(3-chloro-4-fluorophenyl)piperazine;dihydrochloride has a molecular weight of 287.59 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)piperazine;dihydrochloride is sourced from PubChem (CID 2783124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).