1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride

C15H23ClN2O2 — CID 2942280

IUPAC1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride
SMILESCl.O=C(CCc1ccccc1)N1CCN(CCO)CC1
InChIInChI=1S/C15H22N2O2.ClH/c18-13-12-16-8-10-17(11-9-16)15(19)7-6-14-4-2-1-3-5-14;/h1-5,18H,6-13H2;1H
InChIKeyBGUIEOIEUOOOGK-UHFFFAOYSA-N
MW298.81 g/mol
LogP1.18
Rot. Bonds5

About 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride

1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride (PubChem CID 2942280) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride
PubChem CID2942280
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride
SMILESCl.O=C(CCc1ccccc1)N1CCN(CCO)CC1
InChIInChI=1S/C15H22N2O2.ClH/c18-13-12-16-8-10-17(11-9-16)15(19)7-6-14-4-2-1-3-5-14;/h1-5,18H,6-13H2;1H
InChIKeyBGUIEOIEUOOOGK-UHFFFAOYSA-N
XLogP1.18
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride?
The IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride (CID 2942280) is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride.
What is the SMILES notation for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride?
The canonical SMILES for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride is Cl.O=C(CCc1ccccc1)N1CCN(CCO)CC1.
What is the InChIKey of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride?
The InChIKey is BGUIEOIEUOOOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c18-13-12-16-8-10-17(11-9-16)15(19)7-6-14-4-2-1-3-5-14;/h1-5,18H,6-13H2;1H.
What are the key properties of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride?
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride has a molecular weight of 298.81 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride is sourced from PubChem (CID 2942280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).