1-[3-[4-(3-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]-3-methylpyrrole-2,5-diol

C19H26FN3O3 — CID 90973410

IUPAC1-[3-[4-(3-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]-3-methylpyrrole-2,5-diol
SMILESCOc1c(F)cccc1N1CCN(CCCn2c(O)cc(C)c2O)CC1
InChIInChI=1S/C19H26FN3O3/c1-14-13-17(24)23(19(14)25)8-4-7-21-9-11-22(12-10-21)16-6-3-5-15(20)18(16)26-2/h3,5-6,13,24-25H,4,7-12H2,1-2H3
InChIKeyQJXHHCFLCJLPCE-UHFFFAOYSA-N
MW363.43 g/mol
LogP2.57
Rot. Bonds6

About 1-[3-[4-(3-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]-3-methylpyrrole-2,5-diol

1-[3-[4-(3-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]-3-methylpyrrole-2,5-diol (PubChem CID 90973410) has the molecular formula C19H26FN3O3 and a molecular weight of 363.43 g/mol. Its IUPAC name is 1-[3-[4-(3-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]-3-methylpyrrole-2,5-diol.

Molecular Properties

Compound Name1-[3-[4-(3-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]-3-methylpyrrole-2,5-diol
PubChem CID90973410
Molecular FormulaC19H26FN3O3
Molecular Weight363.43 g/mol
Exact Mass363.20
IUPAC Name1-[3-[4-(3-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]-3-methylpyrrole-2,5-diol
SMILESCOc1c(F)cccc1N1CCN(CCCn2c(O)cc(C)c2O)CC1
InChIInChI=1S/C19H26FN3O3/c1-14-13-17(24)23(19(14)25)8-4-7-21-9-11-22(12-10-21)16-6-3-5-15(20)18(16)26-2/h3,5-6,13,24-25H,4,7-12H2,1-2H3
InChIKeyQJXHHCFLCJLPCE-UHFFFAOYSA-N
XLogP2.57
TPSA61.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-[4-(3-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4-hydroxy-1,3-thiazol-2-one
CID 90948221
1-[3-(3-fluoro-2-methoxyphenyl)propyl]-4-methylpiperazine
CID 170862945
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3,4,5-trimethoxybenzamide
CID 42224164
2-[3-[4-(3-hydroxy-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4,7-dihydroisoindole-1,3-diol
CID 91377008
3-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-5-methyl-1H-pyrimidine-2,4-dione
CID 71034112
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-prop-2-ynylpyrrole-2,5-diol
CID 91348674
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-5-methoxy-2,6-dimethylpyrimidine-4-carboxamide;hydrochloride
CID 52949205
1-[3-[4-[2-(cyclopropylmethoxy)phenyl]piperazin-1-yl]propyl]-3-(methylaminomethyl)pyrrole-2,5-diol
CID 91091190
(E)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol;dihydrochloride
CID 6445517
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-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
2-fluoro-6-[4-(5-hydroxypentyl)piperazin-1-yl]benzonitrile
CID 110923709

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(3-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]-3-methylpyrrole-2,5-diol?
The IUPAC name of 1-[3-[4-(3-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]-3-methylpyrrole-2,5-diol (CID 90973410) is 1-[3-[4-(3-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]-3-methylpyrrole-2,5-diol.
What is the SMILES notation for 1-[3-[4-(3-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]-3-methylpyrrole-2,5-diol?
The canonical SMILES for 1-[3-[4-(3-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]-3-methylpyrrole-2,5-diol is COc1c(F)cccc1N1CCN(CCCn2c(O)cc(C)c2O)CC1.
What is the InChIKey of 1-[3-[4-(3-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]-3-methylpyrrole-2,5-diol?
The InChIKey is QJXHHCFLCJLPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O3/c1-14-13-17(24)23(19(14)25)8-4-7-21-9-11-22(12-10-21)16-6-3-5-15(20)18(16)26-2/h3,5-6,13,24-25H,4,7-12H2,1-2H3.
What are the key properties of 1-[3-[4-(3-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]-3-methylpyrrole-2,5-diol?
1-[3-[4-(3-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]-3-methylpyrrole-2,5-diol has a molecular weight of 363.43 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(3-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]-3-methylpyrrole-2,5-diol is sourced from PubChem (CID 90973410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).