(2-bromo-6-fluorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone

C14H17BrFNO3 — CID 115772825

IUPAC(2-bromo-6-fluorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
SMILESO=C(c1c(F)cccc1Br)N1CCC(OCCO)CC1
InChIInChI=1S/C14H17BrFNO3/c15-11-2-1-3-12(16)13(11)14(19)17-6-4-10(5-7-17)20-9-8-18/h1-3,10,18H,4-9H2
InChIKeyMYBZGCRXEXXUEY-UHFFFAOYSA-N
MW346.20 g/mol
LogP2.20
Rot. Bonds4

About (2-bromo-6-fluorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone

(2-bromo-6-fluorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone (PubChem CID 115772825) has the molecular formula C14H17BrFNO3 and a molecular weight of 346.20 g/mol. Its IUPAC name is (2-bromo-6-fluorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-bromo-6-fluorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
PubChem CID115772825
Molecular FormulaC14H17BrFNO3
Molecular Weight346.20 g/mol
Exact Mass345.04
IUPAC Name(2-bromo-6-fluorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
SMILESO=C(c1c(F)cccc1Br)N1CCC(OCCO)CC1
InChIInChI=1S/C14H17BrFNO3/c15-11-2-1-3-12(16)13(11)14(19)17-6-4-10(5-7-17)20-9-8-18/h1-3,10,18H,4-9H2
InChIKeyMYBZGCRXEXXUEY-UHFFFAOYSA-N
XLogP2.20
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.20
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-fluorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone?
The IUPAC name of (2-bromo-6-fluorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone (CID 115772825) is (2-bromo-6-fluorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for (2-bromo-6-fluorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone?
The canonical SMILES for (2-bromo-6-fluorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone is O=C(c1c(F)cccc1Br)N1CCC(OCCO)CC1.
What is the InChIKey of (2-bromo-6-fluorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone?
The InChIKey is MYBZGCRXEXXUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO3/c15-11-2-1-3-12(16)13(11)14(19)17-6-4-10(5-7-17)20-9-8-18/h1-3,10,18H,4-9H2.
What are the key properties of (2-bromo-6-fluorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone?
(2-bromo-6-fluorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone has a molecular weight of 346.20 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-6-fluorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 115772825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).