1-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]imidazolidin-2-one

C16H22FN3O2 — CID 56815060

IUPAC1-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]imidazolidin-2-one
SMILESO=C1NCCN1C1CCN(CC(O)c2ccccc2F)CC1
InChIInChI=1S/C16H22FN3O2/c17-14-4-2-1-3-13(14)15(21)11-19-8-5-12(6-9-19)20-10-7-18-16(20)22/h1-4,12,15,21H,5-11H2,(H,18,22)
InChIKeyQRZPVBNSQBUHII-UHFFFAOYSA-N
MW307.37 g/mol
LogP1.35
Rot. Bonds4

About 1-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]imidazolidin-2-one

1-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]imidazolidin-2-one (PubChem CID 56815060) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is 1-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]imidazolidin-2-one
PubChem CID56815060
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC Name1-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]imidazolidin-2-one
SMILESO=C1NCCN1C1CCN(CC(O)c2ccccc2F)CC1
InChIInChI=1S/C16H22FN3O2/c17-14-4-2-1-3-13(14)15(21)11-19-8-5-12(6-9-19)20-10-7-18-16(20)22/h1-4,12,15,21H,5-11H2,(H,18,22)
InChIKeyQRZPVBNSQBUHII-UHFFFAOYSA-N
XLogP1.35
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]imidazolidin-2-one (CID 56815060) is 1-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]imidazolidin-2-one is O=C1NCCN1C1CCN(CC(O)c2ccccc2F)CC1.
What is the InChIKey of 1-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]imidazolidin-2-one?
The InChIKey is QRZPVBNSQBUHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2/c17-14-4-2-1-3-13(14)15(21)11-19-8-5-12(6-9-19)20-10-7-18-16(20)22/h1-4,12,15,21H,5-11H2,(H,18,22).
What are the key properties of 1-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]imidazolidin-2-one?
1-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]imidazolidin-2-one has a molecular weight of 307.37 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 56815060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).