1-(5-fluoro-2-methoxyphenyl)piperazine;hydrochloride

C11H16ClFN2O — CID 71756588

IUPAC1-(5-fluoro-2-methoxyphenyl)piperazine;hydrochloride
SMILESCOc1ccc(F)cc1N1CCNCC1.Cl
InChIInChI=1S/C11H15FN2O.ClH/c1-15-11-3-2-9(12)8-10(11)14-6-4-13-5-7-14;/h2-3,8,13H,4-7H2,1H3;1H
InChIKeyXZGFUOSQHKSTJS-UHFFFAOYSA-N
MW246.71 g/mol
LogP1.67
Rot. Bonds2

About 1-(5-fluoro-2-methoxyphenyl)piperazine;hydrochloride

1-(5-fluoro-2-methoxyphenyl)piperazine;hydrochloride (PubChem CID 71756588) has the molecular formula C11H16ClFN2O and a molecular weight of 246.71 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)piperazine;hydrochloride
PubChem CID71756588
Molecular FormulaC11H16ClFN2O
Molecular Weight246.71 g/mol
Exact Mass246.09
IUPAC Name1-(5-fluoro-2-methoxyphenyl)piperazine;hydrochloride
SMILESCOc1ccc(F)cc1N1CCNCC1.Cl
InChIInChI=1S/C11H15FN2O.ClH/c1-15-11-3-2-9(12)8-10(11)14-6-4-13-5-7-14;/h2-3,8,13H,4-7H2,1H3;1H
InChIKeyXZGFUOSQHKSTJS-UHFFFAOYSA-N
XLogP1.67
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.71
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(fluoromethyl)-2-methoxyphenyl]piperazine
CID 140978412
1-[5-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]piperazine
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1-[5-fluoro-2-(4-methylpentoxy)phenyl]piperazine
CID 83162048
1-(3-fluoro-2,4-dimethoxyphenyl)piperazine
CID 84800502
1-[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171164703
1-(3,4-dimethoxyphenyl)piperazine;dihydrochloride
CID 22625407
5-fluoro-4-methoxy-2-piperazin-1-ylaniline
CID 63597500
acetaldehyde;1-(2-methoxyphenyl)piperazine
CID 157082158
1-[2-methoxy-4-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 121225637
4-(5-fluoro-2-methoxyphenyl)-N-propylpiperazin-1-amine
CID 22371052
1-(2-methoxy-4-methylphenyl)piperazine
CID 10488507
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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)piperazine;hydrochloride?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)piperazine;hydrochloride (CID 71756588) is 1-(5-fluoro-2-methoxyphenyl)piperazine;hydrochloride.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)piperazine;hydrochloride?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)piperazine;hydrochloride is COc1ccc(F)cc1N1CCNCC1.Cl.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)piperazine;hydrochloride?
The InChIKey is XZGFUOSQHKSTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O.ClH/c1-15-11-3-2-9(12)8-10(11)14-6-4-13-5-7-14;/h2-3,8,13H,4-7H2,1H3;1H.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)piperazine;hydrochloride?
1-(5-fluoro-2-methoxyphenyl)piperazine;hydrochloride has a molecular weight of 246.71 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)piperazine;hydrochloride is sourced from PubChem (CID 71756588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).