1-(2-fluorophenyl)-2-methyl-3-(4-propylpiperazin-1-yl)propan-1-ol

C17H27FN2O — CID 115997045

IUPAC1-(2-fluorophenyl)-2-methyl-3-(4-propylpiperazin-1-yl)propan-1-ol
SMILESCCCN1CCN(CC(C)C(O)c2ccccc2F)CC1
InChIInChI=1S/C17H27FN2O/c1-3-8-19-9-11-20(12-10-19)13-14(2)17(21)15-6-4-5-7-16(15)18/h4-7,14,17,21H,3,8-13H2,1-2H3
InChIKeyVQFVWNXSLSHZBJ-UHFFFAOYSA-N
MW294.41 g/mol
LogP2.52
Rot. Bonds6

About 1-(2-fluorophenyl)-2-methyl-3-(4-propylpiperazin-1-yl)propan-1-ol

1-(2-fluorophenyl)-2-methyl-3-(4-propylpiperazin-1-yl)propan-1-ol (PubChem CID 115997045) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-methyl-3-(4-propylpiperazin-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-methyl-3-(4-propylpiperazin-1-yl)propan-1-ol
PubChem CID115997045
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name1-(2-fluorophenyl)-2-methyl-3-(4-propylpiperazin-1-yl)propan-1-ol
SMILESCCCN1CCN(CC(C)C(O)c2ccccc2F)CC1
InChIInChI=1S/C17H27FN2O/c1-3-8-19-9-11-20(12-10-19)13-14(2)17(21)15-6-4-5-7-16(15)18/h4-7,14,17,21H,3,8-13H2,1-2H3
InChIKeyVQFVWNXSLSHZBJ-UHFFFAOYSA-N
XLogP2.52
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethylazepan-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997172
3-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997156
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997149
(1S)-1-(2-fluorophenyl)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanol
CID 34179618
2-(aziridin-1-yl)-1-(2-fluorophenyl)ethanol
CID 82125307
(1R)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-1-phenylethanol
CID 95319125
2-(4-ethyl-1,4-diazepan-1-yl)-1-(2-fluorophenyl)ethanol
CID 111102980
3-(2,4-dimethylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997143
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997199
1-[2-(4-propylpiperazin-1-yl)phenyl]ethanol
CID 43510167
1-(2-fluorophenyl)-2-methyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine
CID 115996672
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997146

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-methyl-3-(4-propylpiperazin-1-yl)propan-1-ol?
The IUPAC name of 1-(2-fluorophenyl)-2-methyl-3-(4-propylpiperazin-1-yl)propan-1-ol (CID 115997045) is 1-(2-fluorophenyl)-2-methyl-3-(4-propylpiperazin-1-yl)propan-1-ol.
What is the SMILES notation for 1-(2-fluorophenyl)-2-methyl-3-(4-propylpiperazin-1-yl)propan-1-ol?
The canonical SMILES for 1-(2-fluorophenyl)-2-methyl-3-(4-propylpiperazin-1-yl)propan-1-ol is CCCN1CCN(CC(C)C(O)c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-2-methyl-3-(4-propylpiperazin-1-yl)propan-1-ol?
The InChIKey is VQFVWNXSLSHZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-3-8-19-9-11-20(12-10-19)13-14(2)17(21)15-6-4-5-7-16(15)18/h4-7,14,17,21H,3,8-13H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-2-methyl-3-(4-propylpiperazin-1-yl)propan-1-ol?
1-(2-fluorophenyl)-2-methyl-3-(4-propylpiperazin-1-yl)propan-1-ol has a molecular weight of 294.41 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-methyl-3-(4-propylpiperazin-1-yl)propan-1-ol is sourced from PubChem (CID 115997045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).