[4-(2-hydroxyethyl)piperazin-1-yl]-phenylmethanone

C13H18N2O2 — CID 3261601

IUPAC[4-(2-hydroxyethyl)piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(CCO)CC1
InChIInChI=1S/C13H18N2O2/c16-11-10-14-6-8-15(9-7-14)13(17)12-4-2-1-3-5-12/h1-5,16H,6-11H2
InChIKeyDBMBIBSNWGXLHE-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.44
Rot. Bonds3

About [4-(2-hydroxyethyl)piperazin-1-yl]-phenylmethanone

[4-(2-hydroxyethyl)piperazin-1-yl]-phenylmethanone (PubChem CID 3261601) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is [4-(2-hydroxyethyl)piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(2-hydroxyethyl)piperazin-1-yl]-phenylmethanone
PubChem CID3261601
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name[4-(2-hydroxyethyl)piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(CCO)CC1
InChIInChI=1S/C13H18N2O2/c16-11-10-14-6-8-15(9-7-14)13(17)12-4-2-1-3-5-12/h1-5,16H,6-11H2
InChIKeyDBMBIBSNWGXLHE-UHFFFAOYSA-N
XLogP0.44
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyethyl)piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-(2-hydroxyethyl)piperazin-1-yl]-phenylmethanone (CID 3261601) is [4-(2-hydroxyethyl)piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(2-hydroxyethyl)piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(2-hydroxyethyl)piperazin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCN(CCO)CC1.
What is the InChIKey of [4-(2-hydroxyethyl)piperazin-1-yl]-phenylmethanone?
The InChIKey is DBMBIBSNWGXLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c16-11-10-14-6-8-15(9-7-14)13(17)12-4-2-1-3-5-12/h1-5,16H,6-11H2.
What are the key properties of [4-(2-hydroxyethyl)piperazin-1-yl]-phenylmethanone?
[4-(2-hydroxyethyl)piperazin-1-yl]-phenylmethanone has a molecular weight of 234.30 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyethyl)piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 3261601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).