3-(2,4-dimethylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol

C17H26FNO — CID 115997143

IUPAC3-(2,4-dimethylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol
SMILESCC1CCN(CC(C)C(O)c2ccccc2F)C(C)C1
InChIInChI=1S/C17H26FNO/c1-12-8-9-19(14(3)10-12)11-13(2)17(20)15-6-4-5-7-16(15)18/h4-7,12-14,17,20H,8-11H2,1-3H3
InChIKeyITTDQGXWLZRCNL-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.62
Rot. Bonds4

About 3-(2,4-dimethylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol

3-(2,4-dimethylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol (PubChem CID 115997143) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 3-(2,4-dimethylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(2,4-dimethylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol
PubChem CID115997143
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name3-(2,4-dimethylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol
SMILESCC1CCN(CC(C)C(O)c2ccccc2F)C(C)C1
InChIInChI=1S/C17H26FNO/c1-12-8-9-19(14(3)10-12)11-13(2)17(20)15-6-4-5-7-16(15)18/h4-7,12-14,17,20H,8-11H2,1-3H3
InChIKeyITTDQGXWLZRCNL-UHFFFAOYSA-N
XLogP3.62
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-2-methyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol
CID 114596873
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997199
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997146
3-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997156
1-(2-fluorophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methylpropan-1-ol
CID 115997195
3-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2-methyl-1-phenylpropan-1-amine
CID 63494884
(2R)-1-(2,4-dimethylpiperidin-1-yl)propan-2-ol
CID 103935109
3-(4-ethylazepan-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997172
(1R)-1-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]ethanol
CID 95153941
1-(2-fluorophenyl)-2-methyl-3-(4-propylpiperazin-1-yl)propan-1-ol
CID 115997045
1-(2-fluorophenyl)-2-methyl-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 112679785
(2S)-1-[(2R)-4-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 124778972

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol?
The IUPAC name of 3-(2,4-dimethylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol (CID 115997143) is 3-(2,4-dimethylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(2,4-dimethylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol?
The canonical SMILES for 3-(2,4-dimethylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol is CC1CCN(CC(C)C(O)c2ccccc2F)C(C)C1.
What is the InChIKey of 3-(2,4-dimethylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol?
The InChIKey is ITTDQGXWLZRCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-12-8-9-19(14(3)10-12)11-13(2)17(20)15-6-4-5-7-16(15)18/h4-7,12-14,17,20H,8-11H2,1-3H3.
What are the key properties of 3-(2,4-dimethylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol?
3-(2,4-dimethylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol has a molecular weight of 279.40 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 115997143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).