1-(4-chlorophenyl)-4-[2-(5-methylfuran-2-yl)ethyl]piperazine

C17H21ClN2O — CID 22762607

IUPAC1-(4-chlorophenyl)-4-[2-(5-methylfuran-2-yl)ethyl]piperazine
SMILESCc1ccc(CCN2CCN(c3ccc(Cl)cc3)CC2)o1
InChIInChI=1S/C17H21ClN2O/c1-14-2-7-17(21-14)8-9-19-10-12-20(13-11-19)16-5-3-15(18)4-6-16/h2-7H,8-13H2,1H3
InChIKeyZJSKLQMRROAOFR-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.61
Rot. Bonds4

About 1-(4-chlorophenyl)-4-[2-(5-methylfuran-2-yl)ethyl]piperazine

1-(4-chlorophenyl)-4-[2-(5-methylfuran-2-yl)ethyl]piperazine (PubChem CID 22762607) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-[2-(5-methylfuran-2-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-[2-(5-methylfuran-2-yl)ethyl]piperazine
PubChem CID22762607
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name1-(4-chlorophenyl)-4-[2-(5-methylfuran-2-yl)ethyl]piperazine
SMILESCc1ccc(CCN2CCN(c3ccc(Cl)cc3)CC2)o1
InChIInChI=1S/C17H21ClN2O/c1-14-2-7-17(21-14)8-9-19-10-12-20(13-11-19)16-5-3-15(18)4-6-16/h2-7H,8-13H2,1H3
InChIKeyZJSKLQMRROAOFR-UHFFFAOYSA-N
XLogP3.61
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-4-[2-(5-methylfuran-2-yl)ethyl]piperazine 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-chlorophenyl)-4-[2-(5-methylfuran-2-yl)ethyl]piperazine?
The IUPAC name of 1-(4-chlorophenyl)-4-[2-(5-methylfuran-2-yl)ethyl]piperazine (CID 22762607) is 1-(4-chlorophenyl)-4-[2-(5-methylfuran-2-yl)ethyl]piperazine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-[2-(5-methylfuran-2-yl)ethyl]piperazine?
The canonical SMILES for 1-(4-chlorophenyl)-4-[2-(5-methylfuran-2-yl)ethyl]piperazine is Cc1ccc(CCN2CCN(c3ccc(Cl)cc3)CC2)o1.
What is the InChIKey of 1-(4-chlorophenyl)-4-[2-(5-methylfuran-2-yl)ethyl]piperazine?
The InChIKey is ZJSKLQMRROAOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-14-2-7-17(21-14)8-9-19-10-12-20(13-11-19)16-5-3-15(18)4-6-16/h2-7H,8-13H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-4-[2-(5-methylfuran-2-yl)ethyl]piperazine?
1-(4-chlorophenyl)-4-[2-(5-methylfuran-2-yl)ethyl]piperazine has a molecular weight of 304.82 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-[2-(5-methylfuran-2-yl)ethyl]piperazine is sourced from PubChem (CID 22762607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).