1-[2-(2-fluorophenyl)-3,6-dimethylphenyl]piperidin-4-ol

C19H22FNO — CID 54082459

IUPAC1-[2-(2-fluorophenyl)-3,6-dimethylphenyl]piperidin-4-ol
SMILESCc1ccc(C)c(N2CCC(O)CC2)c1-c1ccccc1F
InChIInChI=1S/C19H22FNO/c1-13-7-8-14(2)19(21-11-9-15(22)10-12-21)18(13)16-5-3-4-6-17(16)20/h3-8,15,22H,9-12H2,1-2H3
InChIKeyMOBCLUHDEXGQOZ-UHFFFAOYSA-N
MW299.39 g/mol
LogP4.07
Rot. Bonds2

About 1-[2-(2-fluorophenyl)-3,6-dimethylphenyl]piperidin-4-ol

1-[2-(2-fluorophenyl)-3,6-dimethylphenyl]piperidin-4-ol (PubChem CID 54082459) has the molecular formula C19H22FNO and a molecular weight of 299.39 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)-3,6-dimethylphenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)-3,6-dimethylphenyl]piperidin-4-ol
PubChem CID54082459
Molecular FormulaC19H22FNO
Molecular Weight299.39 g/mol
Exact Mass299.17
IUPAC Name1-[2-(2-fluorophenyl)-3,6-dimethylphenyl]piperidin-4-ol
SMILESCc1ccc(C)c(N2CCC(O)CC2)c1-c1ccccc1F
InChIInChI=1S/C19H22FNO/c1-13-7-8-14(2)19(21-11-9-15(22)10-12-21)18(13)16-5-3-4-6-17(16)20/h3-8,15,22H,9-12H2,1-2H3
InChIKeyMOBCLUHDEXGQOZ-UHFFFAOYSA-N
XLogP4.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)-3,6-dimethylphenyl]piperidin-4-ol?
The IUPAC name of 1-[2-(2-fluorophenyl)-3,6-dimethylphenyl]piperidin-4-ol (CID 54082459) is 1-[2-(2-fluorophenyl)-3,6-dimethylphenyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-(2-fluorophenyl)-3,6-dimethylphenyl]piperidin-4-ol?
The canonical SMILES for 1-[2-(2-fluorophenyl)-3,6-dimethylphenyl]piperidin-4-ol is Cc1ccc(C)c(N2CCC(O)CC2)c1-c1ccccc1F.
What is the InChIKey of 1-[2-(2-fluorophenyl)-3,6-dimethylphenyl]piperidin-4-ol?
The InChIKey is MOBCLUHDEXGQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO/c1-13-7-8-14(2)19(21-11-9-15(22)10-12-21)18(13)16-5-3-4-6-17(16)20/h3-8,15,22H,9-12H2,1-2H3.
What are the key properties of 1-[2-(2-fluorophenyl)-3,6-dimethylphenyl]piperidin-4-ol?
1-[2-(2-fluorophenyl)-3,6-dimethylphenyl]piperidin-4-ol has a molecular weight of 299.39 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)-3,6-dimethylphenyl]piperidin-4-ol is sourced from PubChem (CID 54082459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).