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

C15H23N3 — CID 115105505

IUPAC2-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-indole
SMILESc1ccc2c(c1)CC(CCCN1CCNCC1)N2
InChIInChI=1S/C15H23N3/c1-2-6-15-13(4-1)12-14(17-15)5-3-9-18-10-7-16-8-11-18/h1-2,4,6,14,16-17H,3,5,7-12H2
InChIKeyLXYWZSGZSJHMES-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.71
Rot. Bonds4

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

2-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-indole (PubChem CID 115105505) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-indole
PubChem CID115105505
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-indole
SMILESc1ccc2c(c1)CC(CCCN1CCNCC1)N2
InChIInChI=1S/C15H23N3/c1-2-6-15-13(4-1)12-14(17-15)5-3-9-18-10-7-16-8-11-18/h1-2,4,6,14,16-17H,3,5,7-12H2
InChIKeyLXYWZSGZSJHMES-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Dicarbine
CID 65684
Indoline
CID 10328
N,N'-Di-o-tolylethylenediamine
CID 66759
1,2,3,4-Tetrahydroquinoline
CID 69460
2-Methylindoline
CID 23305
N-(2-Cyanophenyl)piperazine
CID 2735875
N-phenyl-1-(2-phenylethyl)-4-piperidinamine
CID 88890
1-(2,3-Xylyl)piperazine
CID 70541
2-Mepp
CID 91965
2-Methyl-1,2,3,4-tetrahydroquinoline
CID 96289
Desmethylmianserin
CID 115194
2,3-dimethyl-2,3-dihydro-1H-indole
CID 30944

Frequently Asked Questions

What is the IUPAC name of 2-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-indole?
The IUPAC name of 2-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-indole (CID 115105505) is 2-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-indole is c1ccc2c(c1)CC(CCCN1CCNCC1)N2.
What is the InChIKey of 2-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-indole?
The InChIKey is LXYWZSGZSJHMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-2-6-15-13(4-1)12-14(17-15)5-3-9-18-10-7-16-8-11-18/h1-2,4,6,14,16-17H,3,5,7-12H2.
What are the key properties of 2-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-indole?
2-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-indole has a molecular weight of 245.37 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 115105505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).