1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone

C17H23FN2O2 — CID 71783112

IUPAC1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCN(CC(O)C2CC2)CC1
InChIInChI=1S/C17H23FN2O2/c18-15-5-1-13(2-6-15)11-17(22)20-9-7-19(8-10-20)12-16(21)14-3-4-14/h1-2,5-6,14,16,21H,3-4,7-12H2
InChIKeyCKJILZWQQWEIOO-UHFFFAOYSA-N
MW306.38 g/mol
LogP1.28
Rot. Bonds5

About 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone

1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone (PubChem CID 71783112) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
PubChem CID71783112
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCN(CC(O)C2CC2)CC1
InChIInChI=1S/C17H23FN2O2/c18-15-5-1-13(2-6-15)11-17(22)20-9-7-19(8-10-20)12-16(21)14-3-4-14/h1-2,5-6,14,16,21H,3-4,7-12H2
InChIKeyCKJILZWQQWEIOO-UHFFFAOYSA-N
XLogP1.28
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone (CID 71783112) is 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone is O=C(Cc1ccc(F)cc1)N1CCN(CC(O)C2CC2)CC1.
What is the InChIKey of 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone?
The InChIKey is CKJILZWQQWEIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c18-15-5-1-13(2-6-15)11-17(22)20-9-7-19(8-10-20)12-16(21)14-3-4-14/h1-2,5-6,14,16,21H,3-4,7-12H2.
What are the key properties of 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone?
1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone has a molecular weight of 306.38 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 71783112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).