1-(2-ethoxyphenyl)-4-(furan-3-ylmethyl)piperazine

C17H22N2O2 — CID 751787

IUPAC1-(2-ethoxyphenyl)-4-(furan-3-ylmethyl)piperazine
SMILESCCOc1ccccc1N1CCN(Cc2ccoc2)CC1
InChIInChI=1S/C17H22N2O2/c1-2-21-17-6-4-3-5-16(17)19-10-8-18(9-11-19)13-15-7-12-20-14-15/h3-7,12,14H,2,8-11,13H2,1H3
InChIKeyWJVQJBULJXBVIC-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.00
Rot. Bonds5

About 1-(2-ethoxyphenyl)-4-(furan-3-ylmethyl)piperazine

1-(2-ethoxyphenyl)-4-(furan-3-ylmethyl)piperazine (PubChem CID 751787) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-4-(furan-3-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-4-(furan-3-ylmethyl)piperazine
PubChem CID751787
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-(2-ethoxyphenyl)-4-(furan-3-ylmethyl)piperazine
SMILESCCOc1ccccc1N1CCN(Cc2ccoc2)CC1
InChIInChI=1S/C17H22N2O2/c1-2-21-17-6-4-3-5-16(17)19-10-8-18(9-11-19)13-15-7-12-20-14-15/h3-7,12,14H,2,8-11,13H2,1H3
InChIKeyWJVQJBULJXBVIC-UHFFFAOYSA-N
XLogP3.00
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-ethoxyphenyl)-4-(furan-3-ylmethyl)piperazine with MolForge

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

Launch Full Analysis

Related Compounds

CID 595810
CID 595810
CID 963834
CID 963834
CID 2812051
CID 2812051
CID 591367
CID 591367
CID 211938
CID 211938
CID 750989
CID 750989
CID 792517
CID 792517
CID 895981
CID 895981
CID 5347460
CID 5347460
CID 70697212
CID 70697212
CID 76309757
CID 76309757
CID 898362
CID 898362

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-4-(furan-3-ylmethyl)piperazine?
The IUPAC name of 1-(2-ethoxyphenyl)-4-(furan-3-ylmethyl)piperazine (CID 751787) is 1-(2-ethoxyphenyl)-4-(furan-3-ylmethyl)piperazine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-4-(furan-3-ylmethyl)piperazine?
The canonical SMILES for 1-(2-ethoxyphenyl)-4-(furan-3-ylmethyl)piperazine is CCOc1ccccc1N1CCN(Cc2ccoc2)CC1.
What is the InChIKey of 1-(2-ethoxyphenyl)-4-(furan-3-ylmethyl)piperazine?
The InChIKey is WJVQJBULJXBVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-21-17-6-4-3-5-16(17)19-10-8-18(9-11-19)13-15-7-12-20-14-15/h3-7,12,14H,2,8-11,13H2,1H3.
What are the key properties of 1-(2-ethoxyphenyl)-4-(furan-3-ylmethyl)piperazine?
1-(2-ethoxyphenyl)-4-(furan-3-ylmethyl)piperazine has a molecular weight of 286.38 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-4-(furan-3-ylmethyl)piperazine is sourced from PubChem (CID 751787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).