4-(5-fluoro-2-methoxyphenyl)-N-propylpiperazin-1-amine

C14H22FN3O — CID 22371052

IUPAC4-(5-fluoro-2-methoxyphenyl)-N-propylpiperazin-1-amine
SMILESCCCNN1CCN(c2cc(F)ccc2OC)CC1
InChIInChI=1S/C14H22FN3O/c1-3-6-16-18-9-7-17(8-10-18)13-11-12(15)4-5-14(13)19-2/h4-5,11,16H,3,6-10H2,1-2H3
InChIKeyNYOAXWASRNROKV-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.87
Rot. Bonds5

About 4-(5-fluoro-2-methoxyphenyl)-N-propylpiperazin-1-amine

4-(5-fluoro-2-methoxyphenyl)-N-propylpiperazin-1-amine (PubChem CID 22371052) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is 4-(5-fluoro-2-methoxyphenyl)-N-propylpiperazin-1-amine.

Molecular Properties

Compound Name4-(5-fluoro-2-methoxyphenyl)-N-propylpiperazin-1-amine
PubChem CID22371052
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC Name4-(5-fluoro-2-methoxyphenyl)-N-propylpiperazin-1-amine
SMILESCCCNN1CCN(c2cc(F)ccc2OC)CC1
InChIInChI=1S/C14H22FN3O/c1-3-6-16-18-9-7-17(8-10-18)13-11-12(15)4-5-14(13)19-2/h4-5,11,16H,3,6-10H2,1-2H3
InChIKeyNYOAXWASRNROKV-UHFFFAOYSA-N
XLogP1.87
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-fluoro-2-methoxyphenyl)piperazine;hydrochloride
CID 71756588
3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]propanenitrile
CID 69080468
4-methoxy-3-(4-propylpiperazin-1-yl)aniline
CID 166926125
1-(5-fluoro-2-propan-2-yloxyphenyl)-4-propylpiperazine
CID 91805028
1-[3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 11440314
4-(2-methylthiophen-3-yl)-N-propylpiperazin-1-amine
CID 67704352
1-[(3-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 792533
1-(2-methoxy-5-methylphenyl)-N-propylpiperidin-4-amine
CID 43315083
7-(5-fluoro-2-methoxyphenyl)-2-(2-methylpropyl)-7-azaspiro[3.5]nonane
CID 174251512
N-ethyl-1-(4-fluoro-2-methoxyphenyl)piperidin-4-amine
CID 54967542
6-fluoro-2-[3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]-3,3a,4,6,7,7a-hexahydro-1H-isoindol-5-one
CID 91579538
N-butyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 6468080

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methoxyphenyl)-N-propylpiperazin-1-amine?
The IUPAC name of 4-(5-fluoro-2-methoxyphenyl)-N-propylpiperazin-1-amine (CID 22371052) is 4-(5-fluoro-2-methoxyphenyl)-N-propylpiperazin-1-amine.
What is the SMILES notation for 4-(5-fluoro-2-methoxyphenyl)-N-propylpiperazin-1-amine?
The canonical SMILES for 4-(5-fluoro-2-methoxyphenyl)-N-propylpiperazin-1-amine is CCCNN1CCN(c2cc(F)ccc2OC)CC1.
What is the InChIKey of 4-(5-fluoro-2-methoxyphenyl)-N-propylpiperazin-1-amine?
The InChIKey is NYOAXWASRNROKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-3-6-16-18-9-7-17(8-10-18)13-11-12(15)4-5-14(13)19-2/h4-5,11,16H,3,6-10H2,1-2H3.
What are the key properties of 4-(5-fluoro-2-methoxyphenyl)-N-propylpiperazin-1-amine?
4-(5-fluoro-2-methoxyphenyl)-N-propylpiperazin-1-amine has a molecular weight of 267.35 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methoxyphenyl)-N-propylpiperazin-1-amine is sourced from PubChem (CID 22371052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).