6-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]-1H-indole;dihydrochloride

C17H21Cl2N3S — CID 171277868

IUPAC6-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]-1H-indole;dihydrochloride
SMILESCl.Cl.c1csc([C@@H](c2ccc3cc[nH]c3c2)N2CCNCC2)c1
InChIInChI=1S/C17H19N3S.2ClH/c1-2-16(21-11-1)17(20-9-7-18-8-10-20)14-4-3-13-5-6-19-15(13)12-14;;/h1-6,11-12,17-19H,7-10H2;2*1H/t17-;;/m1../s1
InChIKeyLNRXXJNZNWAQDF-ZEECNFPPSA-N
MW370.35 g/mol
LogP4.07
Rot. Bonds3

About 6-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]-1H-indole;dihydrochloride

6-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]-1H-indole;dihydrochloride (PubChem CID 171277868) has the molecular formula C17H21Cl2N3S and a molecular weight of 370.35 g/mol. Its IUPAC name is 6-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]-1H-indole;dihydrochloride.

Molecular Properties

Compound Name6-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]-1H-indole;dihydrochloride
PubChem CID171277868
Molecular FormulaC17H21Cl2N3S
Molecular Weight370.35 g/mol
Exact Mass369.08
IUPAC Name6-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]-1H-indole;dihydrochloride
SMILESCl.Cl.c1csc([C@@H](c2ccc3cc[nH]c3c2)N2CCNCC2)c1
InChIInChI=1S/C17H19N3S.2ClH/c1-2-16(21-11-1)17(20-9-7-18-8-10-20)14-4-3-13-5-6-19-15(13)12-14;;/h1-6,11-12,17-19H,7-10H2;2*1H/t17-;;/m1../s1
InChIKeyLNRXXJNZNWAQDF-ZEECNFPPSA-N
XLogP4.07
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.35
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]-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

1-[(R)-(3,4-dibromophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171283652
6-[(1S)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride
CID 171277846
1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171281575
1-[(R)-(3-iodophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171280709
5-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]benzene-1,3-diol;dihydrochloride
CID 171273859
6-[(1S)-1-piperazin-1-ylethyl]-1H-indole
CID 171277845
1-[(R)-(4-iodophenyl)-thiophen-2-ylmethyl]piperazine
CID 171276045
1-[(3-fluorophenyl)-thiophen-2-ylmethyl]piperazine
CID 3614145
1-[(R)-thiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 171273194
1-[(S)-(3-fluorophenyl)-thiophen-2-ylmethyl]piperazine
CID 92754518
1-[(R)-(3-methylphenyl)-thiophen-2-ylmethyl]piperazine
CID 92754603
1-[(R)-(4-methylsulfonylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171272709

Frequently Asked Questions

What is the IUPAC name of 6-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]-1H-indole;dihydrochloride?
The IUPAC name of 6-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]-1H-indole;dihydrochloride (CID 171277868) is 6-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]-1H-indole;dihydrochloride.
What is the SMILES notation for 6-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]-1H-indole;dihydrochloride?
The canonical SMILES for 6-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]-1H-indole;dihydrochloride is Cl.Cl.c1csc([C@@H](c2ccc3cc[nH]c3c2)N2CCNCC2)c1.
What is the InChIKey of 6-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]-1H-indole;dihydrochloride?
The InChIKey is LNRXXJNZNWAQDF-ZEECNFPPSA-N. The full InChI is InChI=1S/C17H19N3S.2ClH/c1-2-16(21-11-1)17(20-9-7-18-8-10-20)14-4-3-13-5-6-19-15(13)12-14;;/h1-6,11-12,17-19H,7-10H2;2*1H/t17-;;/m1../s1.
What are the key properties of 6-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]-1H-indole;dihydrochloride?
6-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]-1H-indole;dihydrochloride has a molecular weight of 370.35 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]-1H-indole;dihydrochloride is sourced from PubChem (CID 171277868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).