3-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]-1H-indole;dihydrochloride

C17H21Cl2N3S — CID 171285012

IUPAC3-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]-1H-indole;dihydrochloride
SMILESCl.Cl.c1csc([C@H](c2c[nH]c3ccccc23)N2CCNCC2)c1
InChIInChI=1S/C17H19N3S.2ClH/c1-2-5-15-13(4-1)14(12-19-15)17(16-6-3-11-21-16)20-9-7-18-8-10-20;;/h1-6,11-12,17-19H,7-10H2;2*1H/t17-;;/m0../s1
InChIKeySQDSCNUESLJCQV-RMRYJAPISA-N
MW370.35 g/mol
LogP4.07
Rot. Bonds3

About 3-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]-1H-indole;dihydrochloride

3-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]-1H-indole;dihydrochloride (PubChem CID 171285012) has the molecular formula C17H21Cl2N3S and a molecular weight of 370.35 g/mol. Its IUPAC name is 3-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]-1H-indole;dihydrochloride.

Molecular Properties

Compound Name3-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]-1H-indole;dihydrochloride
PubChem CID171285012
Molecular FormulaC17H21Cl2N3S
Molecular Weight370.35 g/mol
Exact Mass369.08
IUPAC Name3-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]-1H-indole;dihydrochloride
SMILESCl.Cl.c1csc([C@H](c2c[nH]c3ccccc23)N2CCNCC2)c1
InChIInChI=1S/C17H19N3S.2ClH/c1-2-5-15-13(4-1)14(12-19-15)17(16-6-3-11-21-16)20-9-7-18-8-10-20;;/h1-6,11-12,17-19H,7-10H2;2*1H/t17-;;/m0../s1
InChIKeySQDSCNUESLJCQV-RMRYJAPISA-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

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Related Compounds

2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride
CID 171287287
3-[(1R)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride
CID 171284996
3-[(1S)-1-piperazin-1-ylprop-2-enyl]-1H-indole;dihydrochloride
CID 171272371
3-[(R)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]-1H-indole;dihydrochloride
CID 171285015
3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole
CID 95456258
3-[(R)-cyclobutyl(piperazin-1-yl)methyl]-1H-indole;dihydrochloride
CID 171285009
1-(1H-indol-3-yl)-2-piperazin-1-ylpropan-1-ol
CID 82264006
1-[(R)-thiophen-2-yl-[2-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171280475
1-[(R)-thiophen-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine
CID 171180610
1-[(S)-(2,5-dibromophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171296235
3-[(1R)-1-piperazin-1-ylbutyl]-1H-indole
CID 171285016
1-[(R)-(2,4-dimethylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171282255

Frequently Asked Questions

What is the IUPAC name of 3-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]-1H-indole;dihydrochloride?
The IUPAC name of 3-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]-1H-indole;dihydrochloride (CID 171285012) is 3-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]-1H-indole;dihydrochloride.
What is the SMILES notation for 3-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]-1H-indole;dihydrochloride?
The canonical SMILES for 3-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]-1H-indole;dihydrochloride is Cl.Cl.c1csc([C@H](c2c[nH]c3ccccc23)N2CCNCC2)c1.
What is the InChIKey of 3-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]-1H-indole;dihydrochloride?
The InChIKey is SQDSCNUESLJCQV-RMRYJAPISA-N. The full InChI is InChI=1S/C17H19N3S.2ClH/c1-2-5-15-13(4-1)14(12-19-15)17(16-6-3-11-21-16)20-9-7-18-8-10-20;;/h1-6,11-12,17-19H,7-10H2;2*1H/t17-;;/m0../s1.
What are the key properties of 3-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]-1H-indole;dihydrochloride?
3-[(S)-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 3-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]-1H-indole;dihydrochloride is sourced from PubChem (CID 171285012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).