1-(1,4-dimethylpiperazin-2-yl)-3-(2-fluoro-3-methoxyphenyl)propan-2-ol

C16H25FN2O2 — CID 104793699

IUPAC1-(1,4-dimethylpiperazin-2-yl)-3-(2-fluoro-3-methoxyphenyl)propan-2-ol
SMILESCOc1cccc(CC(O)CC2CN(C)CCN2C)c1F
InChIInChI=1S/C16H25FN2O2/c1-18-7-8-19(2)13(11-18)10-14(20)9-12-5-4-6-15(21-3)16(12)17/h4-6,13-14,20H,7-11H2,1-3H3
InChIKeyFDWHXTIVGOWKLO-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.37
Rot. Bonds5

About 1-(1,4-dimethylpiperazin-2-yl)-3-(2-fluoro-3-methoxyphenyl)propan-2-ol

1-(1,4-dimethylpiperazin-2-yl)-3-(2-fluoro-3-methoxyphenyl)propan-2-ol (PubChem CID 104793699) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-3-(2-fluoro-3-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-3-(2-fluoro-3-methoxyphenyl)propan-2-ol
PubChem CID104793699
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-3-(2-fluoro-3-methoxyphenyl)propan-2-ol
SMILESCOc1cccc(CC(O)CC2CN(C)CCN2C)c1F
InChIInChI=1S/C16H25FN2O2/c1-18-7-8-19(2)13(11-18)10-14(20)9-12-5-4-6-15(21-3)16(12)17/h4-6,13-14,20H,7-11H2,1-3H3
InChIKeyFDWHXTIVGOWKLO-UHFFFAOYSA-N
XLogP1.37
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylphenyl)propan-2-ol
CID 115414893
1-(2-fluoro-3-methoxyphenyl)-4-pyridin-4-ylbutan-2-ol
CID 105125656
1-(1,4-dimethylpiperazin-2-yl)-3-(4-iodophenyl)propan-2-ol
CID 115414970
1-cyclopropyl-3-(2-fluoro-3-methoxyphenyl)propane-1,2-diol
CID 103456969
1-(2-fluoro-3-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-ol
CID 104793618
(3S,4R)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidine-3,4-diol
CID 104794531
1-(2-fluoro-3-methoxyphenyl)-3-thiophen-3-ylpropan-2-ol
CID 105125769
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115718706
1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine
CID 104792857
1-cyclobutyl-3-(2-methoxyphenyl)propan-2-ol
CID 65459253
2-(2-fluoro-3-methoxyphenyl)-1-(4-methylcyclohexyl)ethanol
CID 104793177
1-(1,4-dimethylpiperazin-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol
CID 115414847

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-3-(2-fluoro-3-methoxyphenyl)propan-2-ol?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-3-(2-fluoro-3-methoxyphenyl)propan-2-ol (CID 104793699) is 1-(1,4-dimethylpiperazin-2-yl)-3-(2-fluoro-3-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-3-(2-fluoro-3-methoxyphenyl)propan-2-ol?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-3-(2-fluoro-3-methoxyphenyl)propan-2-ol is COc1cccc(CC(O)CC2CN(C)CCN2C)c1F.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-3-(2-fluoro-3-methoxyphenyl)propan-2-ol?
The InChIKey is FDWHXTIVGOWKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-18-7-8-19(2)13(11-18)10-14(20)9-12-5-4-6-15(21-3)16(12)17/h4-6,13-14,20H,7-11H2,1-3H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-3-(2-fluoro-3-methoxyphenyl)propan-2-ol?
1-(1,4-dimethylpiperazin-2-yl)-3-(2-fluoro-3-methoxyphenyl)propan-2-ol has a molecular weight of 296.39 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)-3-(2-fluoro-3-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 104793699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).