3-[2-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride

C20H26ClN3O2 — CID 67650077

IUPAC3-[2-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride
SMILESCOc1cccnc1N1CCNC(CCC2COc3ccccc32)C1.Cl
InChIInChI=1S/C20H25N3O2.ClH/c1-24-19-7-4-10-22-20(19)23-12-11-21-16(13-23)9-8-15-14-25-18-6-3-2-5-17(15)18;/h2-7,10,15-16,21H,8-9,11-14H2,1H3;1H
InChIKeyOJVNFYPHEWMZOO-UHFFFAOYSA-N
MW375.90 g/mol
LogP3.25
Rot. Bonds5

About 3-[2-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride

3-[2-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride (PubChem CID 67650077) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is 3-[2-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride.

Molecular Properties

Compound Name3-[2-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride
PubChem CID67650077
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC Name3-[2-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride
SMILESCOc1cccnc1N1CCNC(CCC2COc3ccccc32)C1.Cl
InChIInChI=1S/C20H25N3O2.ClH/c1-24-19-7-4-10-22-20(19)23-12-11-21-16(13-23)9-8-15-14-25-18-6-3-2-5-17(15)18;/h2-7,10,15-16,21H,8-9,11-14H2,1H3;1H
InChIKeyOJVNFYPHEWMZOO-UHFFFAOYSA-N
XLogP3.25
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride 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

3-[2-(2,3-dihydro-1-benzothiophen-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine
CID 67650966
3-[2-(1-benzothiophen-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride
CID 67651694
1-[3-(2,3-dihydro-1-benzothiophen-3-yl)propyl]-4-(3-methoxy-2-pyridinyl)piperazine;hydrochloride
CID 19081518
3-[3-(2,3-dihydro-1-benzothiophen-3-yl)propyl]-1-(3-methoxy-2-pyridinyl)-3-methylpiperazine
CID 67651361
3-methoxy-2-(4-methylpiperidin-1-yl)pyridine
CID 155975394
2-(3-ethylpiperazin-1-yl)pyridine-3-carbonitrile
CID 167849231
1-(2-chlorophenyl)-4-(3-methoxy-2-pyridinyl)piperazine
CID 171335865
2-[3-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]pyridine-3-carboxamide;hydrochloride
CID 145196100
1-(3-methoxy-2-pyridinyl)-2-methylpiperazine;hydrochloride
CID 162079828
3-methoxy-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine
CID 163345314
2-(2,3-dihydro-1-benzofuran-3-yl)ethyl acetate
CID 15732877
1-(2-methoxy-5-methylphenyl)-3-propylpiperazine
CID 64923794

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride?
The IUPAC name of 3-[2-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride (CID 67650077) is 3-[2-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride.
What is the SMILES notation for 3-[2-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride?
The canonical SMILES for 3-[2-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride is COc1cccnc1N1CCNC(CCC2COc3ccccc32)C1.Cl.
What is the InChIKey of 3-[2-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride?
The InChIKey is OJVNFYPHEWMZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2.ClH/c1-24-19-7-4-10-22-20(19)23-12-11-21-16(13-23)9-8-15-14-25-18-6-3-2-5-17(15)18;/h2-7,10,15-16,21H,8-9,11-14H2,1H3;1H.
What are the key properties of 3-[2-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride?
3-[2-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride has a molecular weight of 375.90 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride is sourced from PubChem (CID 67650077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).