1-[(R)-thiophen-2-yl(thiophen-3-yl)methyl]piperazine;dihydrochloride

C13H18Cl2N2S2 — CID 171280742

IUPAC1-[(R)-thiophen-2-yl(thiophen-3-yl)methyl]piperazine;dihydrochloride
SMILESCl.Cl.c1csc([C@@H](c2ccsc2)N2CCNCC2)c1
InChIInChI=1S/C13H16N2S2.2ClH/c1-2-12(17-8-1)13(11-3-9-16-10-11)15-6-4-14-5-7-15;;/h1-3,8-10,13-14H,4-7H2;2*1H/t13-;;/m1../s1
InChIKeyKLUMBHLWOZJDJV-FFXKMJQXSA-N
MW337.34 g/mol
LogP3.65
Rot. Bonds3

About 1-[(R)-thiophen-2-yl(thiophen-3-yl)methyl]piperazine;dihydrochloride

1-[(R)-thiophen-2-yl(thiophen-3-yl)methyl]piperazine;dihydrochloride (PubChem CID 171280742) has the molecular formula C13H18Cl2N2S2 and a molecular weight of 337.34 g/mol. Its IUPAC name is 1-[(R)-thiophen-2-yl(thiophen-3-yl)methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(R)-thiophen-2-yl(thiophen-3-yl)methyl]piperazine;dihydrochloride
PubChem CID171280742
Molecular FormulaC13H18Cl2N2S2
Molecular Weight337.34 g/mol
Exact Mass336.03
IUPAC Name1-[(R)-thiophen-2-yl(thiophen-3-yl)methyl]piperazine;dihydrochloride
SMILESCl.Cl.c1csc([C@@H](c2ccsc2)N2CCNCC2)c1
InChIInChI=1S/C13H16N2S2.2ClH/c1-2-12(17-8-1)13(11-3-9-16-10-11)15-6-4-14-5-7-15;;/h1-3,8-10,13-14H,4-7H2;2*1H/t13-;;/m1../s1
InChIKeyKLUMBHLWOZJDJV-FFXKMJQXSA-N
XLogP3.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]benzene-1,3-diol;dihydrochloride
CID 171273859
1-[(R)-(2,6-difluorophenyl)-thiophen-3-ylmethyl]piperazine
CID 171179292
1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171281575
1-[(R)-(4-iodophenyl)-thiophen-2-ylmethyl]piperazine
CID 171276045
1-[(R)-thiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 171273194
1-[(R)-(4-phenylphenyl)-thiophen-2-ylmethyl]piperazine
CID 171279536
1-[(R)-furan-3-yl(thiophen-2-yl)methyl]piperazine
CID 171281680
1-[(S)-(3,5-dichlorophenyl)-thiophen-2-ylmethyl]piperazine
CID 171288405
1-[(R)-(3-iodophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171280709
1-[(R)-(3,4-dibromophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171283652
1-[(S)-thiophen-2-yl-[4-(trifluoromethylsulfanyl)phenyl]methyl]piperazine;dihydrochloride
CID 171291625
1-[(R)-(3,5-difluorophenyl)-thiophen-3-ylmethyl]piperazine
CID 171179419

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-thiophen-2-yl(thiophen-3-yl)methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(R)-thiophen-2-yl(thiophen-3-yl)methyl]piperazine;dihydrochloride (CID 171280742) is 1-[(R)-thiophen-2-yl(thiophen-3-yl)methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(R)-thiophen-2-yl(thiophen-3-yl)methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(R)-thiophen-2-yl(thiophen-3-yl)methyl]piperazine;dihydrochloride is Cl.Cl.c1csc([C@@H](c2ccsc2)N2CCNCC2)c1.
What is the InChIKey of 1-[(R)-thiophen-2-yl(thiophen-3-yl)methyl]piperazine;dihydrochloride?
The InChIKey is KLUMBHLWOZJDJV-FFXKMJQXSA-N. The full InChI is InChI=1S/C13H16N2S2.2ClH/c1-2-12(17-8-1)13(11-3-9-16-10-11)15-6-4-14-5-7-15;;/h1-3,8-10,13-14H,4-7H2;2*1H/t13-;;/m1../s1.
What are the key properties of 1-[(R)-thiophen-2-yl(thiophen-3-yl)methyl]piperazine;dihydrochloride?
1-[(R)-thiophen-2-yl(thiophen-3-yl)methyl]piperazine;dihydrochloride has a molecular weight of 337.34 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-thiophen-2-yl(thiophen-3-yl)methyl]piperazine;dihydrochloride is sourced from PubChem (CID 171280742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).