2-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]oxyethanol

C14H20FNO2 — CID 142832562

IUPAC2-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]oxyethanol
SMILESCc1cc(F)ccc1N1CCC(OCCO)CC1
InChIInChI=1S/C14H20FNO2/c1-11-10-12(15)2-3-14(11)16-6-4-13(5-7-16)18-9-8-17/h2-3,10,13,17H,4-9H2,1H3
InChIKeyYYLKQWNBHSSPFK-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.11
Rot. Bonds4

About 2-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]oxyethanol

2-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]oxyethanol (PubChem CID 142832562) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]oxyethanol
PubChem CID142832562
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]oxyethanol
SMILESCc1cc(F)ccc1N1CCC(OCCO)CC1
InChIInChI=1S/C14H20FNO2/c1-11-10-12(15)2-3-14(11)16-6-4-13(5-7-16)18-9-8-17/h2-3,10,13,17H,4-9H2,1H3
InChIKeyYYLKQWNBHSSPFK-UHFFFAOYSA-N
XLogP2.11
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]oxyethanol (CID 142832562) is 2-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]oxyethanol is Cc1cc(F)ccc1N1CCC(OCCO)CC1.
What is the InChIKey of 2-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]oxyethanol?
The InChIKey is YYLKQWNBHSSPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-11-10-12(15)2-3-14(11)16-6-4-13(5-7-16)18-9-8-17/h2-3,10,13,17H,4-9H2,1H3.
What are the key properties of 2-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]oxyethanol?
2-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]oxyethanol has a molecular weight of 253.32 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]oxyethanol is sourced from PubChem (CID 142832562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).