1-[(5-chloro-2-fluorophenyl)methyl]-2,5-dimethylpiperazine;hydrochloride

C13H19Cl2FN2 — CID 120906190

IUPAC1-[(5-chloro-2-fluorophenyl)methyl]-2,5-dimethylpiperazine;hydrochloride
SMILESCC1CN(Cc2cc(Cl)ccc2F)C(C)CN1.Cl
InChIInChI=1S/C13H18ClFN2.ClH/c1-9-7-17(10(2)6-16-9)8-11-5-12(14)3-4-13(11)15;/h3-5,9-10,16H,6-8H2,1-2H3;1H
InChIKeyUYXNEGVZAGDYDH-UHFFFAOYSA-N
MW293.21 g/mol
LogP3.08
Rot. Bonds2

About 1-[(5-chloro-2-fluorophenyl)methyl]-2,5-dimethylpiperazine;hydrochloride

1-[(5-chloro-2-fluorophenyl)methyl]-2,5-dimethylpiperazine;hydrochloride (PubChem CID 120906190) has the molecular formula C13H19Cl2FN2 and a molecular weight of 293.21 g/mol. Its IUPAC name is 1-[(5-chloro-2-fluorophenyl)methyl]-2,5-dimethylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[(5-chloro-2-fluorophenyl)methyl]-2,5-dimethylpiperazine;hydrochloride
PubChem CID120906190
Molecular FormulaC13H19Cl2FN2
Molecular Weight293.21 g/mol
Exact Mass292.09
IUPAC Name1-[(5-chloro-2-fluorophenyl)methyl]-2,5-dimethylpiperazine;hydrochloride
SMILESCC1CN(Cc2cc(Cl)ccc2F)C(C)CN1.Cl
InChIInChI=1S/C13H18ClFN2.ClH/c1-9-7-17(10(2)6-16-9)8-11-5-12(14)3-4-13(11)15;/h3-5,9-10,16H,6-8H2,1-2H3;1H
InChIKeyUYXNEGVZAGDYDH-UHFFFAOYSA-N
XLogP3.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-fluorophenyl)methyl]-2,5-dimethylpiperazine;hydrochloride?
The IUPAC name of 1-[(5-chloro-2-fluorophenyl)methyl]-2,5-dimethylpiperazine;hydrochloride (CID 120906190) is 1-[(5-chloro-2-fluorophenyl)methyl]-2,5-dimethylpiperazine;hydrochloride.
What is the SMILES notation for 1-[(5-chloro-2-fluorophenyl)methyl]-2,5-dimethylpiperazine;hydrochloride?
The canonical SMILES for 1-[(5-chloro-2-fluorophenyl)methyl]-2,5-dimethylpiperazine;hydrochloride is CC1CN(Cc2cc(Cl)ccc2F)C(C)CN1.Cl.
What is the InChIKey of 1-[(5-chloro-2-fluorophenyl)methyl]-2,5-dimethylpiperazine;hydrochloride?
The InChIKey is UYXNEGVZAGDYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2.ClH/c1-9-7-17(10(2)6-16-9)8-11-5-12(14)3-4-13(11)15;/h3-5,9-10,16H,6-8H2,1-2H3;1H.
What are the key properties of 1-[(5-chloro-2-fluorophenyl)methyl]-2,5-dimethylpiperazine;hydrochloride?
1-[(5-chloro-2-fluorophenyl)methyl]-2,5-dimethylpiperazine;hydrochloride has a molecular weight of 293.21 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-fluorophenyl)methyl]-2,5-dimethylpiperazine;hydrochloride is sourced from PubChem (CID 120906190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).