[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(3-fluorophenyl)methanone

C16H23FN2O3 — CID 56803175

IUPAC[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(3-fluorophenyl)methanone
SMILESCCOCC(O)CN1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C16H23FN2O3/c1-2-22-12-15(20)11-18-6-8-19(9-7-18)16(21)13-4-3-5-14(17)10-13/h3-5,10,15,20H,2,6-9,11-12H2,1H3
InChIKeyYDIIWEPDQZPVLI-UHFFFAOYSA-N
MW310.37 g/mol
LogP0.98
Rot. Bonds6

About [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(3-fluorophenyl)methanone

[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(3-fluorophenyl)methanone (PubChem CID 56803175) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(3-fluorophenyl)methanone
PubChem CID56803175
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(3-fluorophenyl)methanone
SMILESCCOCC(O)CN1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C16H23FN2O3/c1-2-22-12-15(20)11-18-6-8-19(9-7-18)16(21)13-4-3-5-14(17)10-13/h3-5,10,15,20H,2,6-9,11-12H2,1H3
InChIKeyYDIIWEPDQZPVLI-UHFFFAOYSA-N
XLogP0.98
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(3-fluorophenyl)methanone (CID 56803175) is [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(3-fluorophenyl)methanone is CCOCC(O)CN1CCN(C(=O)c2cccc(F)c2)CC1.
What is the InChIKey of [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(3-fluorophenyl)methanone?
The InChIKey is YDIIWEPDQZPVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-2-22-12-15(20)11-18-6-8-19(9-7-18)16(21)13-4-3-5-14(17)10-13/h3-5,10,15,20H,2,6-9,11-12H2,1H3.
What are the key properties of [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(3-fluorophenyl)methanone?
[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(3-fluorophenyl)methanone has a molecular weight of 310.37 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 56803175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).