4-(piperazin-1-ylmethyl)-1H-indole;dihydrochloride

C13H19Cl2N3 — CID 134690852

IUPAC4-(piperazin-1-ylmethyl)-1H-indole;dihydrochloride
SMILESCl.Cl.c1cc(CN2CCNCC2)c2cc[nH]c2c1
InChIInChI=1S/C13H17N3.2ClH/c1-2-11(10-16-8-6-14-7-9-16)12-4-5-15-13(12)3-1;;/h1-5,14-15H,6-10H2;2*1H
InChIKeyHJLSOVNNHQQGHM-UHFFFAOYSA-N
MW288.22 g/mol
LogP2.42
Rot. Bonds2

About 4-(piperazin-1-ylmethyl)-1H-indole;dihydrochloride

4-(piperazin-1-ylmethyl)-1H-indole;dihydrochloride (PubChem CID 134690852) has the molecular formula C13H19Cl2N3 and a molecular weight of 288.22 g/mol. Its IUPAC name is 4-(piperazin-1-ylmethyl)-1H-indole;dihydrochloride.

Molecular Properties

Compound Name4-(piperazin-1-ylmethyl)-1H-indole;dihydrochloride
PubChem CID134690852
Molecular FormulaC13H19Cl2N3
Molecular Weight288.22 g/mol
Exact Mass287.10
IUPAC Name4-(piperazin-1-ylmethyl)-1H-indole;dihydrochloride
SMILESCl.Cl.c1cc(CN2CCNCC2)c2cc[nH]c2c1
InChIInChI=1S/C13H17N3.2ClH/c1-2-11(10-16-8-6-14-7-9-16)12-4-5-15-13(12)3-1;;/h1-5,14-15H,6-10H2;2*1H
InChIKeyHJLSOVNNHQQGHM-UHFFFAOYSA-N
XLogP2.42
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(piperazin-1-ylmethyl)-1H-indole;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(piperazin-1-ylmethyl)-1H-indazole
CID 82509172
4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-1H-indole;dihydrochloride
CID 2729522
4-[(2-pyridin-2-ylpiperazin-1-yl)methyl]-1H-indole
CID 168861440
4-(piperazin-1-ylmethyl)naphthalen-1-ol
CID 82263156
1-[(3-fluoro-2-methoxyphenyl)methyl]piperazine
CID 82509697
9-(1H-indol-4-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 134804424
4-[[(3R)-3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl]methyl]-1H-indole
CID 97153671
4-[(1R)-1-piperazin-1-ylpropyl]-1H-indole;dihydrochloride
CID 171290393
5-methyl-3-(piperazin-1-ylmethyl)-1H-indole
CID 82277559
3-(piperazin-1-ylmethyl)-1H-indol-5-ol
CID 117174988
4-(iodomethyl)-1H-indole
CID 143791617
1-[(2-ethylphenyl)methyl]piperazine
CID 62415674

Frequently Asked Questions

What is the IUPAC name of 4-(piperazin-1-ylmethyl)-1H-indole;dihydrochloride?
The IUPAC name of 4-(piperazin-1-ylmethyl)-1H-indole;dihydrochloride (CID 134690852) is 4-(piperazin-1-ylmethyl)-1H-indole;dihydrochloride.
What is the SMILES notation for 4-(piperazin-1-ylmethyl)-1H-indole;dihydrochloride?
The canonical SMILES for 4-(piperazin-1-ylmethyl)-1H-indole;dihydrochloride is Cl.Cl.c1cc(CN2CCNCC2)c2cc[nH]c2c1.
What is the InChIKey of 4-(piperazin-1-ylmethyl)-1H-indole;dihydrochloride?
The InChIKey is HJLSOVNNHQQGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3.2ClH/c1-2-11(10-16-8-6-14-7-9-16)12-4-5-15-13(12)3-1;;/h1-5,14-15H,6-10H2;2*1H.
What are the key properties of 4-(piperazin-1-ylmethyl)-1H-indole;dihydrochloride?
4-(piperazin-1-ylmethyl)-1H-indole;dihydrochloride has a molecular weight of 288.22 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperazin-1-ylmethyl)-1H-indole;dihydrochloride is sourced from PubChem (CID 134690852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).