1-(2-fluorophenyl)-2-methyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol

C18H28FNO — CID 114596873

IUPAC1-(2-fluorophenyl)-2-methyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol
SMILESCC1CC(C)C(C)N(CC(C)C(O)c2ccccc2F)C1
InChIInChI=1S/C18H28FNO/c1-12-9-13(2)15(4)20(10-12)11-14(3)18(21)16-7-5-6-8-17(16)19/h5-8,12-15,18,21H,9-11H2,1-4H3
InChIKeyDOKHPNLJMLQXDR-UHFFFAOYSA-N
MW293.43 g/mol
LogP3.86
Rot. Bonds4

About 1-(2-fluorophenyl)-2-methyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol

1-(2-fluorophenyl)-2-methyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol (PubChem CID 114596873) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-methyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-methyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol
PubChem CID114596873
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC Name1-(2-fluorophenyl)-2-methyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol
SMILESCC1CC(C)C(C)N(CC(C)C(O)c2ccccc2F)C1
InChIInChI=1S/C18H28FNO/c1-12-9-13(2)15(4)20(10-12)11-14(3)18(21)16-7-5-6-8-17(16)19/h5-8,12-15,18,21H,9-11H2,1-4H3
InChIKeyDOKHPNLJMLQXDR-UHFFFAOYSA-N
XLogP3.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-dimethylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997143
1-(2-fluorophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methylpropan-1-ol
CID 115997195
3-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997156
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997146
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997199
1-phenyl-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
CID 114592777
N-methyl-1-(2-methylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
CID 114592756
2-methyl-1-phenyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-one
CID 114596662
1-(2-fluorophenyl)-2-methyl-3-(4-propylpiperazin-1-yl)propan-1-ol
CID 115997045
1-(2,4-difluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
CID 107522072
3-(4-ethylazepan-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997172
(1S)-1-[2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanol
CID 104939735

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-methyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol?
The IUPAC name of 1-(2-fluorophenyl)-2-methyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol (CID 114596873) is 1-(2-fluorophenyl)-2-methyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol.
What is the SMILES notation for 1-(2-fluorophenyl)-2-methyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol?
The canonical SMILES for 1-(2-fluorophenyl)-2-methyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol is CC1CC(C)C(C)N(CC(C)C(O)c2ccccc2F)C1.
What is the InChIKey of 1-(2-fluorophenyl)-2-methyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol?
The InChIKey is DOKHPNLJMLQXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-12-9-13(2)15(4)20(10-12)11-14(3)18(21)16-7-5-6-8-17(16)19/h5-8,12-15,18,21H,9-11H2,1-4H3.
What are the key properties of 1-(2-fluorophenyl)-2-methyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol?
1-(2-fluorophenyl)-2-methyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol has a molecular weight of 293.43 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-methyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol is sourced from PubChem (CID 114596873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).