2-[2-(4-piperazin-1-yl-1,3-dihydroisoindol-2-yl)ethoxy]ethanol

C16H25N3O2 — CID 82163580

IUPAC2-[2-(4-piperazin-1-yl-1,3-dihydroisoindol-2-yl)ethoxy]ethanol
SMILESOCCOCCN1Cc2cccc(N3CCNCC3)c2C1
InChIInChI=1S/C16H25N3O2/c20-9-11-21-10-8-18-12-14-2-1-3-16(15(14)13-18)19-6-4-17-5-7-19/h1-3,17,20H,4-13H2
InChIKeyDORZCBYNGHVMKJ-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.42
Rot. Bonds6

About 2-[2-(4-piperazin-1-yl-1,3-dihydroisoindol-2-yl)ethoxy]ethanol

2-[2-(4-piperazin-1-yl-1,3-dihydroisoindol-2-yl)ethoxy]ethanol (PubChem CID 82163580) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-[2-(4-piperazin-1-yl-1,3-dihydroisoindol-2-yl)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(4-piperazin-1-yl-1,3-dihydroisoindol-2-yl)ethoxy]ethanol
PubChem CID82163580
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name2-[2-(4-piperazin-1-yl-1,3-dihydroisoindol-2-yl)ethoxy]ethanol
SMILESOCCOCCN1Cc2cccc(N3CCNCC3)c2C1
InChIInChI=1S/C16H25N3O2/c20-9-11-21-10-8-18-12-14-2-1-3-16(15(14)13-18)19-6-4-17-5-7-19/h1-3,17,20H,4-13H2
InChIKeyDORZCBYNGHVMKJ-UHFFFAOYSA-N
XLogP0.42
TPSA47.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-4-(4-piperazin-1-yl-1,3-dihydroisoindol-2-yl)butan-1-amine
CID 82163593
2-[(4-methylphenyl)methyl]-4-piperazin-1-yl-1,3-dihydroisoindole
CID 94778572
2-(2-piperazin-1-ylphenoxy)ethanol;hydrobromide
CID 117067034
2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethoxy]ethanol
CID 61071831
N-[2-[2-(2-hydroxyethoxy)ethyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide
CID 111439571
2-[2-(2-hydroxyethoxy)ethyl]-1,3-dihydroisoindole-5-carboxylic acid
CID 82163493
2-[2-(11,12-dihydro-10H-benzo[b][1]benzazocin-5-yl)ethoxy]ethanol
CID 18965318
1-(7-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)piperazine
CID 22497211
1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide
CID 118703673
2-(2-fluorophenyl)sulfonyl-4-piperazin-1-yl-1,3-dihydroisoindole
CID 142592131
2-[2-(3-piperazin-1-ylazetidin-1-yl)ethoxy]ethanol
CID 66197330
2-[2-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)piperidin-1-yl]ethoxy]ethanol
CID 70481452

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-piperazin-1-yl-1,3-dihydroisoindol-2-yl)ethoxy]ethanol?
The IUPAC name of 2-[2-(4-piperazin-1-yl-1,3-dihydroisoindol-2-yl)ethoxy]ethanol (CID 82163580) is 2-[2-(4-piperazin-1-yl-1,3-dihydroisoindol-2-yl)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(4-piperazin-1-yl-1,3-dihydroisoindol-2-yl)ethoxy]ethanol?
The canonical SMILES for 2-[2-(4-piperazin-1-yl-1,3-dihydroisoindol-2-yl)ethoxy]ethanol is OCCOCCN1Cc2cccc(N3CCNCC3)c2C1.
What is the InChIKey of 2-[2-(4-piperazin-1-yl-1,3-dihydroisoindol-2-yl)ethoxy]ethanol?
The InChIKey is DORZCBYNGHVMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c20-9-11-21-10-8-18-12-14-2-1-3-16(15(14)13-18)19-6-4-17-5-7-19/h1-3,17,20H,4-13H2.
What are the key properties of 2-[2-(4-piperazin-1-yl-1,3-dihydroisoindol-2-yl)ethoxy]ethanol?
2-[2-(4-piperazin-1-yl-1,3-dihydroisoindol-2-yl)ethoxy]ethanol has a molecular weight of 291.40 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-piperazin-1-yl-1,3-dihydroisoindol-2-yl)ethoxy]ethanol is sourced from PubChem (CID 82163580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).