2-(1-propylpiperazin-2-yl)-1,3,3a,7a-tetrahydroisoindole

C15H25N3 — CID 67612373

IUPAC2-(1-propylpiperazin-2-yl)-1,3,3a,7a-tetrahydroisoindole
SMILESCCCN1CCNCC1N1CC2C=CC=CC2C1
InChIInChI=1S/C15H25N3/c1-2-8-17-9-7-16-10-15(17)18-11-13-5-3-4-6-14(13)12-18/h3-6,13-16H,2,7-12H2,1H3
InChIKeyAYKQPMZEIUYKLQ-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.30
Rot. Bonds3

About 2-(1-propylpiperazin-2-yl)-1,3,3a,7a-tetrahydroisoindole

2-(1-propylpiperazin-2-yl)-1,3,3a,7a-tetrahydroisoindole (PubChem CID 67612373) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-(1-propylpiperazin-2-yl)-1,3,3a,7a-tetrahydroisoindole.

Molecular Properties

Compound Name2-(1-propylpiperazin-2-yl)-1,3,3a,7a-tetrahydroisoindole
PubChem CID67612373
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-(1-propylpiperazin-2-yl)-1,3,3a,7a-tetrahydroisoindole
SMILESCCCN1CCNCC1N1CC2C=CC=CC2C1
InChIInChI=1S/C15H25N3/c1-2-8-17-9-7-16-10-15(17)18-11-13-5-3-4-6-14(13)12-18/h3-6,13-16H,2,7-12H2,1H3
InChIKeyAYKQPMZEIUYKLQ-UHFFFAOYSA-N
XLogP1.30
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-propylpiperazin-2-yl)-1,3,3a,7a-tetrahydroisoindole?
The IUPAC name of 2-(1-propylpiperazin-2-yl)-1,3,3a,7a-tetrahydroisoindole (CID 67612373) is 2-(1-propylpiperazin-2-yl)-1,3,3a,7a-tetrahydroisoindole.
What is the SMILES notation for 2-(1-propylpiperazin-2-yl)-1,3,3a,7a-tetrahydroisoindole?
The canonical SMILES for 2-(1-propylpiperazin-2-yl)-1,3,3a,7a-tetrahydroisoindole is CCCN1CCNCC1N1CC2C=CC=CC2C1.
What is the InChIKey of 2-(1-propylpiperazin-2-yl)-1,3,3a,7a-tetrahydroisoindole?
The InChIKey is AYKQPMZEIUYKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-2-8-17-9-7-16-10-15(17)18-11-13-5-3-4-6-14(13)12-18/h3-6,13-16H,2,7-12H2,1H3.
What are the key properties of 2-(1-propylpiperazin-2-yl)-1,3,3a,7a-tetrahydroisoindole?
2-(1-propylpiperazin-2-yl)-1,3,3a,7a-tetrahydroisoindole has a molecular weight of 247.39 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propylpiperazin-2-yl)-1,3,3a,7a-tetrahydroisoindole is sourced from PubChem (CID 67612373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).