1-[5-(fluoromethyl)-2-methoxyphenyl]piperazine

C12H17FN2O — CID 140978412

IUPAC1-[5-(fluoromethyl)-2-methoxyphenyl]piperazine
SMILESCOc1ccc(CF)cc1N1CCNCC1
InChIInChI=1S/C12H17FN2O/c1-16-12-3-2-10(9-13)8-11(12)15-6-4-14-5-7-15/h2-3,8,14H,4-7,9H2,1H3
InChIKeyXINAJKQFQYTOLT-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.57
Rot. Bonds3

About 1-[5-(fluoromethyl)-2-methoxyphenyl]piperazine

1-[5-(fluoromethyl)-2-methoxyphenyl]piperazine (PubChem CID 140978412) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 1-[5-(fluoromethyl)-2-methoxyphenyl]piperazine.

Molecular Properties

Compound Name1-[5-(fluoromethyl)-2-methoxyphenyl]piperazine
PubChem CID140978412
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name1-[5-(fluoromethyl)-2-methoxyphenyl]piperazine
SMILESCOc1ccc(CF)cc1N1CCNCC1
InChIInChI=1S/C12H17FN2O/c1-16-12-3-2-10(9-13)8-11(12)15-6-4-14-5-7-15/h2-3,8,14H,4-7,9H2,1H3
InChIKeyXINAJKQFQYTOLT-UHFFFAOYSA-N
XLogP1.57
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-methoxyphenyl)piperazine;hydrochloride
CID 71756588
(3-methoxy-4-piperazin-1-ylphenyl)methanol
CID 84788686
1-(3-fluoro-2,4-dimethoxyphenyl)piperazine
CID 84800502
1-(2-methoxy-4-methylphenyl)piperazine
CID 10488507
1-(4,5-dimethoxy-2-methylphenyl)piperazine
CID 82476463
N-[(3-methoxy-4-piperazin-1-ylphenyl)methyl]-N-propylpropan-1-amine
CID 84754111
1-(4-iodo-2-methoxyphenyl)piperazine
CID 134534497
1-(3,4-dimethoxyphenyl)piperazine;dihydrochloride
CID 22625407
1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)piperazine
CID 18918724
acetaldehyde;1-(2-methoxyphenyl)piperazine
CID 157082158
5-fluoro-4-methoxy-2-piperazin-1-ylaniline
CID 63597500
1-(2-ethyl-3-methoxyphenyl)piperazine
CID 143239355

Frequently Asked Questions

What is the IUPAC name of 1-[5-(fluoromethyl)-2-methoxyphenyl]piperazine?
The IUPAC name of 1-[5-(fluoromethyl)-2-methoxyphenyl]piperazine (CID 140978412) is 1-[5-(fluoromethyl)-2-methoxyphenyl]piperazine.
What is the SMILES notation for 1-[5-(fluoromethyl)-2-methoxyphenyl]piperazine?
The canonical SMILES for 1-[5-(fluoromethyl)-2-methoxyphenyl]piperazine is COc1ccc(CF)cc1N1CCNCC1.
What is the InChIKey of 1-[5-(fluoromethyl)-2-methoxyphenyl]piperazine?
The InChIKey is XINAJKQFQYTOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-16-12-3-2-10(9-13)8-11(12)15-6-4-14-5-7-15/h2-3,8,14H,4-7,9H2,1H3.
What are the key properties of 1-[5-(fluoromethyl)-2-methoxyphenyl]piperazine?
1-[5-(fluoromethyl)-2-methoxyphenyl]piperazine has a molecular weight of 224.28 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(fluoromethyl)-2-methoxyphenyl]piperazine is sourced from PubChem (CID 140978412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).