1-(2-piperazin-1-ylethyl)-2,3-dihydroindole

C14H21N3 — CID 28704454

IUPAC1-(2-piperazin-1-ylethyl)-2,3-dihydroindole
SMILESc1ccc2c(c1)CCN2CCN1CCNCC1
InChIInChI=1S/C14H21N3/c1-2-4-14-13(3-1)5-8-17(14)12-11-16-9-6-15-7-10-16/h1-4,15H,5-12H2
InChIKeyKMFSDSVXIVMPNF-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.95
Rot. Bonds3

About 1-(2-piperazin-1-ylethyl)-2,3-dihydroindole

1-(2-piperazin-1-ylethyl)-2,3-dihydroindole (PubChem CID 28704454) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(2-piperazin-1-ylethyl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-(2-piperazin-1-ylethyl)-2,3-dihydroindole
PubChem CID28704454
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name1-(2-piperazin-1-ylethyl)-2,3-dihydroindole
SMILESc1ccc2c(c1)CCN2CCN1CCNCC1
InChIInChI=1S/C14H21N3/c1-2-4-14-13(3-1)5-8-17(14)12-11-16-9-6-15-7-10-16/h1-4,15H,5-12H2
InChIKeyKMFSDSVXIVMPNF-UHFFFAOYSA-N
XLogP0.95
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(azepan-1-yl)ethyl]-2,3-dihydroindole
CID 54806650
1-(4-piperazin-1-ylbutyl)-3,4-dihydro-2H-quinoline
CID 28808284
1-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinoline
CID 59807075
4-(2,3-dihydroindol-1-yl)-1-piperazin-1-ylbutan-1-one
CID 39284028
1-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole
CID 82081939
1-(2-iodoethyl)-2,3-dihydroindole
CID 131082836
2-(2,3-dihydroindol-1-yl)ethanamine
CID 1072384
2-methyl-1-(2-piperazin-1-ylethyl)-3,4-dihydro-2H-quinoline
CID 54945544
2-(2,3-dihydroindol-1-yl)ethanol;hydrochloride
CID 169005265
2-(2-piperazin-1-ylethyl)-1,3,4,5-tetrahydro-2-benzazepine
CID 55166762
N-[3-(2,3-dihydroindol-1-yl)propyl]piperidin-4-amine
CID 54902685
1-butyl-2,3-dihydroindole
CID 4167209

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperazin-1-ylethyl)-2,3-dihydroindole?
The IUPAC name of 1-(2-piperazin-1-ylethyl)-2,3-dihydroindole (CID 28704454) is 1-(2-piperazin-1-ylethyl)-2,3-dihydroindole.
What is the SMILES notation for 1-(2-piperazin-1-ylethyl)-2,3-dihydroindole?
The canonical SMILES for 1-(2-piperazin-1-ylethyl)-2,3-dihydroindole is c1ccc2c(c1)CCN2CCN1CCNCC1.
What is the InChIKey of 1-(2-piperazin-1-ylethyl)-2,3-dihydroindole?
The InChIKey is KMFSDSVXIVMPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-2-4-14-13(3-1)5-8-17(14)12-11-16-9-6-15-7-10-16/h1-4,15H,5-12H2.
What are the key properties of 1-(2-piperazin-1-ylethyl)-2,3-dihydroindole?
1-(2-piperazin-1-ylethyl)-2,3-dihydroindole has a molecular weight of 231.34 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperazin-1-ylethyl)-2,3-dihydroindole is sourced from PubChem (CID 28704454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).