1-[2-(4-ethylpiperidin-1-yl)-6-fluorophenyl]ethanol

C15H22FNO — CID 61421255

IUPAC1-[2-(4-ethylpiperidin-1-yl)-6-fluorophenyl]ethanol
SMILESCCC1CCN(c2cccc(F)c2C(C)O)CC1
InChIInChI=1S/C15H22FNO/c1-3-12-7-9-17(10-8-12)14-6-4-5-13(16)15(14)11(2)18/h4-6,11-12,18H,3,7-10H2,1-2H3
InChIKeyMKYZKFXURCQDOC-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.51
Rot. Bonds3

About 1-[2-(4-ethylpiperidin-1-yl)-6-fluorophenyl]ethanol

1-[2-(4-ethylpiperidin-1-yl)-6-fluorophenyl]ethanol (PubChem CID 61421255) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 1-[2-(4-ethylpiperidin-1-yl)-6-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[2-(4-ethylpiperidin-1-yl)-6-fluorophenyl]ethanol
PubChem CID61421255
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name1-[2-(4-ethylpiperidin-1-yl)-6-fluorophenyl]ethanol
SMILESCCC1CCN(c2cccc(F)c2C(C)O)CC1
InChIInChI=1S/C15H22FNO/c1-3-12-7-9-17(10-8-12)14-6-4-5-13(16)15(14)11(2)18/h4-6,11-12,18H,3,7-10H2,1-2H3
InChIKeyMKYZKFXURCQDOC-UHFFFAOYSA-N
XLogP3.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylpiperidin-1-yl)-6-fluorophenyl]ethanol?
The IUPAC name of 1-[2-(4-ethylpiperidin-1-yl)-6-fluorophenyl]ethanol (CID 61421255) is 1-[2-(4-ethylpiperidin-1-yl)-6-fluorophenyl]ethanol.
What is the SMILES notation for 1-[2-(4-ethylpiperidin-1-yl)-6-fluorophenyl]ethanol?
The canonical SMILES for 1-[2-(4-ethylpiperidin-1-yl)-6-fluorophenyl]ethanol is CCC1CCN(c2cccc(F)c2C(C)O)CC1.
What is the InChIKey of 1-[2-(4-ethylpiperidin-1-yl)-6-fluorophenyl]ethanol?
The InChIKey is MKYZKFXURCQDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-3-12-7-9-17(10-8-12)14-6-4-5-13(16)15(14)11(2)18/h4-6,11-12,18H,3,7-10H2,1-2H3.
What are the key properties of 1-[2-(4-ethylpiperidin-1-yl)-6-fluorophenyl]ethanol?
1-[2-(4-ethylpiperidin-1-yl)-6-fluorophenyl]ethanol has a molecular weight of 251.34 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylpiperidin-1-yl)-6-fluorophenyl]ethanol is sourced from PubChem (CID 61421255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).