1-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-isoindole

C15H23N3 — CID 115105241

IUPAC1-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-isoindole
SMILESc1ccc2c(c1)CNC2CCCN1CCNCC1
InChIInChI=1S/C15H23N3/c1-2-5-14-13(4-1)12-17-15(14)6-3-9-18-10-7-16-8-11-18/h1-2,4-5,15-17H,3,6-12H2
InChIKeyYPLADHHYLBMAQF-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.52
Rot. Bonds4

About 1-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-isoindole

1-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-isoindole (PubChem CID 115105241) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name1-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-isoindole
PubChem CID115105241
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name1-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-isoindole
SMILESc1ccc2c(c1)CNC2CCCN1CCNCC1
InChIInChI=1S/C15H23N3/c1-2-5-14-13(4-1)12-17-15(14)6-3-9-18-10-7-16-8-11-18/h1-2,4-5,15-17H,3,6-12H2
InChIKeyYPLADHHYLBMAQF-UHFFFAOYSA-N
XLogP1.52
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(azepan-1-yl)ethyl]-2,3-dihydro-1H-isoindole
CID 115105193
2-[(1R)-2,3-dihydro-1H-isoindol-1-yl]ethanol
CID 129390481
2-(2,3-dihydro-1H-isoindol-1-yl)ethanamine
CID 86111569
2-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-indole
CID 115105505
1-hept-6-enyl-2,3-dihydro-1H-isoindole
CID 107010280
1-[10-(1,2,3,4-tetrahydroisoquinolin-1-yl)decyl]-1,2,3,4-tetrahydroisoquinoline
CID 20976200
4-[2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethyl]morpholine
CID 82048427
1-(2-propoxyethyl)-2,3-dihydro-1H-isoindole
CID 106458136
2-(2,3-dihydro-1H-isoindol-1-yl)acetaldehyde
CID 89299506
4-(2-pyrrolidin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104880
2-(4-piperazin-1-ylbutyl)phenol
CID 83930504
1-pentylpiperazine;toluene
CID 68982278

Frequently Asked Questions

What is the IUPAC name of 1-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-isoindole?
The IUPAC name of 1-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-isoindole (CID 115105241) is 1-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 1-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-isoindole?
The canonical SMILES for 1-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-isoindole is c1ccc2c(c1)CNC2CCCN1CCNCC1.
What is the InChIKey of 1-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-isoindole?
The InChIKey is YPLADHHYLBMAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-2-5-14-13(4-1)12-17-15(14)6-3-9-18-10-7-16-8-11-18/h1-2,4-5,15-17H,3,6-12H2.
What are the key properties of 1-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-isoindole?
1-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-isoindole has a molecular weight of 245.37 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 115105241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).