2-(4-fluorophenyl)-2-hydroxy-1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone

C19H24FN3O3 — CID 70729511

IUPAC2-(4-fluorophenyl)-2-hydroxy-1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone
SMILESCOCCn1ccnc1C1CCN(C(=O)C(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H24FN3O3/c1-26-13-12-22-11-8-21-18(22)15-6-9-23(10-7-15)19(25)17(24)14-2-4-16(20)5-3-14/h2-5,8,11,15,17,24H,6-7,9-10,12-13H2,1H3
InChIKeyHCSOHDUJEVCGLT-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.11
Rot. Bonds6

About 2-(4-fluorophenyl)-2-hydroxy-1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone

2-(4-fluorophenyl)-2-hydroxy-1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 70729511) has the molecular formula C19H24FN3O3 and a molecular weight of 361.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-hydroxy-1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-hydroxy-1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone
PubChem CID70729511
Molecular FormulaC19H24FN3O3
Molecular Weight361.42 g/mol
Exact Mass361.18
IUPAC Name2-(4-fluorophenyl)-2-hydroxy-1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone
SMILESCOCCn1ccnc1C1CCN(C(=O)C(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H24FN3O3/c1-26-13-12-22-11-8-21-18(22)15-6-9-23(10-7-15)19(25)17(24)14-2-4-16(20)5-3-14/h2-5,8,11,15,17,24H,6-7,9-10,12-13H2,1H3
InChIKeyHCSOHDUJEVCGLT-UHFFFAOYSA-N
XLogP2.11
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-hydroxy-1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-2-hydroxy-1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone (CID 70729511) is 2-(4-fluorophenyl)-2-hydroxy-1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-2-hydroxy-1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-2-hydroxy-1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone is COCCn1ccnc1C1CCN(C(=O)C(O)c2ccc(F)cc2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-2-hydroxy-1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone?
The InChIKey is HCSOHDUJEVCGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3/c1-26-13-12-22-11-8-21-18(22)15-6-9-23(10-7-15)19(25)17(24)14-2-4-16(20)5-3-14/h2-5,8,11,15,17,24H,6-7,9-10,12-13H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-2-hydroxy-1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone?
2-(4-fluorophenyl)-2-hydroxy-1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 361.42 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-hydroxy-1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 70729511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).