1-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-3-phenylprop-2-en-1-one;hydrochloride

C19H23ClN2O3 — CID 91939147

IUPAC1-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-3-phenylprop-2-en-1-one;hydrochloride
SMILESCl.O=C(C=Cc1ccccc1)N1CCN(CC(O)c2ccco2)CC1
InChIInChI=1S/C19H22N2O3.ClH/c22-17(18-7-4-14-24-18)15-20-10-12-21(13-11-20)19(23)9-8-16-5-2-1-3-6-16;/h1-9,14,17,22H,10-13,15H2;1H
InChIKeyCHWSQUAKUFTECV-UHFFFAOYSA-N
MW362.86 g/mol
LogP2.59
Rot. Bonds5

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

1-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-3-phenylprop-2-en-1-one;hydrochloride (PubChem CID 91939147) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is 1-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-3-phenylprop-2-en-1-one;hydrochloride.

Molecular Properties

Compound Name1-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-3-phenylprop-2-en-1-one;hydrochloride
PubChem CID91939147
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC Name1-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-3-phenylprop-2-en-1-one;hydrochloride
SMILESCl.O=C(C=Cc1ccccc1)N1CCN(CC(O)c2ccco2)CC1
InChIInChI=1S/C19H22N2O3.ClH/c22-17(18-7-4-14-24-18)15-20-10-12-21(13-11-20)19(23)9-8-16-5-2-1-3-6-16;/h1-9,14,17,22H,10-13,15H2;1H
InChIKeyCHWSQUAKUFTECV-UHFFFAOYSA-N
XLogP2.59
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-3-phenylprop-2-en-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-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-3-phenylprop-2-en-1-one;hydrochloride?
The IUPAC name of 1-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-3-phenylprop-2-en-1-one;hydrochloride (CID 91939147) is 1-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-3-phenylprop-2-en-1-one;hydrochloride.
What is the SMILES notation for 1-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-3-phenylprop-2-en-1-one;hydrochloride?
The canonical SMILES for 1-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-3-phenylprop-2-en-1-one;hydrochloride is Cl.O=C(C=Cc1ccccc1)N1CCN(CC(O)c2ccco2)CC1.
What is the InChIKey of 1-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-3-phenylprop-2-en-1-one;hydrochloride?
The InChIKey is CHWSQUAKUFTECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3.ClH/c22-17(18-7-4-14-24-18)15-20-10-12-21(13-11-20)19(23)9-8-16-5-2-1-3-6-16;/h1-9,14,17,22H,10-13,15H2;1H.
What are the key properties of 1-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-3-phenylprop-2-en-1-one;hydrochloride?
1-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-3-phenylprop-2-en-1-one;hydrochloride has a molecular weight of 362.86 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-3-phenylprop-2-en-1-one;hydrochloride is sourced from PubChem (CID 91939147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).