1-(5-fluoro-2-propan-2-yloxyphenyl)-4-propylpiperazine

C16H25FN2O — CID 91805028

IUPAC1-(5-fluoro-2-propan-2-yloxyphenyl)-4-propylpiperazine
SMILESCCCN1CCN(c2cc(F)ccc2OC(C)C)CC1
InChIInChI=1S/C16H25FN2O/c1-4-7-18-8-10-19(11-9-18)15-12-14(17)5-6-16(15)20-13(2)3/h5-6,12-13H,4,7-11H2,1-3H3
InChIKeyLQHKMZSXFVOKMA-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.14
Rot. Bonds5

About 1-(5-fluoro-2-propan-2-yloxyphenyl)-4-propylpiperazine

1-(5-fluoro-2-propan-2-yloxyphenyl)-4-propylpiperazine (PubChem CID 91805028) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-(5-fluoro-2-propan-2-yloxyphenyl)-4-propylpiperazine.

Molecular Properties

Compound Name1-(5-fluoro-2-propan-2-yloxyphenyl)-4-propylpiperazine
PubChem CID91805028
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name1-(5-fluoro-2-propan-2-yloxyphenyl)-4-propylpiperazine
SMILESCCCN1CCN(c2cc(F)ccc2OC(C)C)CC1
InChIInChI=1S/C16H25FN2O/c1-4-7-18-8-10-19(11-9-18)15-12-14(17)5-6-16(15)20-13(2)3/h5-6,12-13H,4,7-11H2,1-3H3
InChIKeyLQHKMZSXFVOKMA-UHFFFAOYSA-N
XLogP3.14
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-diethyl-1-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione
CID 69433853
1-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-(methylamino)pyrrole-2,5-diol
CID 91322392
5-fluoro-2-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 91028383
2-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4,5,6,7-tetrahydroisoindole-1,3,5-triol
CID 91398766
1-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3-[(propan-2-ylamino)methyl]pyrrole-2,5-diol
CID 91490823
3-[cyclopropyl(methyl)amino]-1-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4-methylpyrrolidine-2,5-dione
CID 11374596
4-methoxy-3-(4-propylpiperazin-1-yl)aniline
CID 166926125
[5-fluoro-2-(4-propylpiperazin-1-yl)phenyl]methanol
CID 43313182
1-[[2-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]cyclopropyl]amino]-3-methylpyrrolidine-2,5-dione
CID 69435913
5-fluoro-2-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-6-hydroxy-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;phosphoric acid
CID 69408563
N-[3-propan-2-yloxy-4-(4-propylpiperazin-1-yl)phenyl]acetamide
CID 91564135
[6-fluoro-2-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-5-yl] dihydrogen phosphate
CID 90687960

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-propan-2-yloxyphenyl)-4-propylpiperazine?
The IUPAC name of 1-(5-fluoro-2-propan-2-yloxyphenyl)-4-propylpiperazine (CID 91805028) is 1-(5-fluoro-2-propan-2-yloxyphenyl)-4-propylpiperazine.
What is the SMILES notation for 1-(5-fluoro-2-propan-2-yloxyphenyl)-4-propylpiperazine?
The canonical SMILES for 1-(5-fluoro-2-propan-2-yloxyphenyl)-4-propylpiperazine is CCCN1CCN(c2cc(F)ccc2OC(C)C)CC1.
What is the InChIKey of 1-(5-fluoro-2-propan-2-yloxyphenyl)-4-propylpiperazine?
The InChIKey is LQHKMZSXFVOKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-4-7-18-8-10-19(11-9-18)15-12-14(17)5-6-16(15)20-13(2)3/h5-6,12-13H,4,7-11H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-propan-2-yloxyphenyl)-4-propylpiperazine?
1-(5-fluoro-2-propan-2-yloxyphenyl)-4-propylpiperazine has a molecular weight of 280.39 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-propan-2-yloxyphenyl)-4-propylpiperazine is sourced from PubChem (CID 91805028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).