3-(piperazin-2-ylmethyl)-1H-indole;dihydrochloride

C13H19Cl2N3 — CID 140992063

IUPAC3-(piperazin-2-ylmethyl)-1H-indole;dihydrochloride
SMILESCl.Cl.c1ccc2c(CC3CNCCN3)c[nH]c2c1
InChIInChI=1S/C13H17N3.2ClH/c1-2-4-13-12(3-1)10(8-16-13)7-11-9-14-5-6-15-11;;/h1-4,8,11,14-16H,5-7,9H2;2*1H
InChIKeySJGMYGORQKLRCF-UHFFFAOYSA-N
MW288.22 g/mol
LogP2.12
Rot. Bonds2

About 3-(piperazin-2-ylmethyl)-1H-indole;dihydrochloride

3-(piperazin-2-ylmethyl)-1H-indole;dihydrochloride (PubChem CID 140992063) has the molecular formula C13H19Cl2N3 and a molecular weight of 288.22 g/mol. Its IUPAC name is 3-(piperazin-2-ylmethyl)-1H-indole;dihydrochloride.

Molecular Properties

Compound Name3-(piperazin-2-ylmethyl)-1H-indole;dihydrochloride
PubChem CID140992063
Molecular FormulaC13H19Cl2N3
Molecular Weight288.22 g/mol
Exact Mass287.10
IUPAC Name3-(piperazin-2-ylmethyl)-1H-indole;dihydrochloride
SMILESCl.Cl.c1ccc2c(CC3CNCCN3)c[nH]c2c1
InChIInChI=1S/C13H17N3.2ClH/c1-2-4-13-12(3-1)10(8-16-13)7-11-9-14-5-6-15-11;;/h1-4,8,11,14-16H,5-7,9H2;2*1H
InChIKeySJGMYGORQKLRCF-UHFFFAOYSA-N
XLogP2.12
TPSA39.85 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(2S)-piperazin-2-yl]methyl]-1H-indole
CID 59208274
5-bromo-3-(piperazin-2-ylmethyl)-1H-indole
CID 84644063
2-methylpiperazine;3-propyl-1H-indole
CID 143269934
(3S)-3-(1H-indol-3-ylmethyl)piperazin-2-one;hydrochloride
CID 155822805
1-methyl-3-(piperazin-2-ylmethyl)indole
CID 84625891
4-(3,5-dichlorophenoxy)-3-[(3S)-3-(1H-indol-3-ylmethyl)piperazin-1-yl]sulfonylbenzonitrile;3-[[(2S)-piperazin-2-yl]methyl]-1H-indole
CID 159031209
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
CID 135044640
CID 135044640
4-[4-[3-(1H-indol-3-ylmethyl)piperazin-1-yl]but-2-ynyl]morpholine
CID 142644923
1H-indol-3-ylmethanamine;hydrochloride
CID 52986033
1H-indol-3-ylmethylphosphane;hydrochloride
CID 173452856
1H-indol-3-ylmethyl(dimethyl)azanium chloride
CID 45033090

Frequently Asked Questions

What is the IUPAC name of 3-(piperazin-2-ylmethyl)-1H-indole;dihydrochloride?
The IUPAC name of 3-(piperazin-2-ylmethyl)-1H-indole;dihydrochloride (CID 140992063) is 3-(piperazin-2-ylmethyl)-1H-indole;dihydrochloride.
What is the SMILES notation for 3-(piperazin-2-ylmethyl)-1H-indole;dihydrochloride?
The canonical SMILES for 3-(piperazin-2-ylmethyl)-1H-indole;dihydrochloride is Cl.Cl.c1ccc2c(CC3CNCCN3)c[nH]c2c1.
What is the InChIKey of 3-(piperazin-2-ylmethyl)-1H-indole;dihydrochloride?
The InChIKey is SJGMYGORQKLRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3.2ClH/c1-2-4-13-12(3-1)10(8-16-13)7-11-9-14-5-6-15-11;;/h1-4,8,11,14-16H,5-7,9H2;2*1H.
What are the key properties of 3-(piperazin-2-ylmethyl)-1H-indole;dihydrochloride?
3-(piperazin-2-ylmethyl)-1H-indole;dihydrochloride has a molecular weight of 288.22 g/mol, XLogP of 2.12, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperazin-2-ylmethyl)-1H-indole;dihydrochloride is sourced from PubChem (CID 140992063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).