1-[(1S)-2-cyclopropyl-1-thiophen-2-ylethyl]piperazine;dihydrochloride

C13H22Cl2N2S — CID 171281527

IUPAC1-[(1S)-2-cyclopropyl-1-thiophen-2-ylethyl]piperazine;dihydrochloride
SMILESCl.Cl.c1csc([C@H](CC2CC2)N2CCNCC2)c1
InChIInChI=1S/C13H20N2S.2ClH/c1-2-13(16-9-1)12(10-11-3-4-11)15-7-5-14-6-8-15;;/h1-2,9,11-12,14H,3-8,10H2;2*1H/t12-;;/m0../s1
InChIKeyYVPSBVFLMBLLBK-LTCKWSDVSA-N
MW309.31 g/mol
LogP3.34
Rot. Bonds4

About 1-[(1S)-2-cyclopropyl-1-thiophen-2-ylethyl]piperazine;dihydrochloride

1-[(1S)-2-cyclopropyl-1-thiophen-2-ylethyl]piperazine;dihydrochloride (PubChem CID 171281527) has the molecular formula C13H22Cl2N2S and a molecular weight of 309.31 g/mol. Its IUPAC name is 1-[(1S)-2-cyclopropyl-1-thiophen-2-ylethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-2-cyclopropyl-1-thiophen-2-ylethyl]piperazine;dihydrochloride
PubChem CID171281527
Molecular FormulaC13H22Cl2N2S
Molecular Weight309.31 g/mol
Exact Mass308.09
IUPAC Name1-[(1S)-2-cyclopropyl-1-thiophen-2-ylethyl]piperazine;dihydrochloride
SMILESCl.Cl.c1csc([C@H](CC2CC2)N2CCNCC2)c1
InChIInChI=1S/C13H20N2S.2ClH/c1-2-13(16-9-1)12(10-11-3-4-11)15-7-5-14-6-8-15;;/h1-2,9,11-12,14H,3-8,10H2;2*1H/t12-;;/m0../s1
InChIKeyYVPSBVFLMBLLBK-LTCKWSDVSA-N
XLogP3.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-2-cyclopropyl-1-thiophen-2-ylethyl]piperazine
CID 171294145
1-[(1R)-2-fluoro-1-thiophen-2-ylethyl]piperazine;dihydrochloride
CID 171294136
2-piperazin-1-yl-2-thiophen-2-ylethanamine
CID 82078137
1-[(1S)-1-(3-chlorothiophen-2-yl)-2-cyclopropylethyl]piperazine;dihydrochloride
CID 171276249
1-[(1R)-2-cyclopropyl-1-(5-ethylthiophen-2-yl)ethyl]piperazine;dihydrochloride
CID 171293988
1-[(1R)-4,4,4-trifluoro-1-thiophen-2-ylbutyl]piperazine;dihydrochloride
CID 171303977
1-[(1R)-1-thiophen-2-ylpentyl]piperazine;dihydrochloride
CID 171308182
1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine;dihydrochloride
CID 171288682
1-[(1R)-4-methyl-1-thiophen-2-ylpentyl]piperazine
CID 171311169
1-[(1S)-2-cyclopropyl-1-(4-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171273249
3-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]benzene-1,2-diol;dihydrochloride
CID 171287332
1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine;dihydrochloride
CID 171292166

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-cyclopropyl-1-thiophen-2-ylethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-2-cyclopropyl-1-thiophen-2-ylethyl]piperazine;dihydrochloride (CID 171281527) is 1-[(1S)-2-cyclopropyl-1-thiophen-2-ylethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-2-cyclopropyl-1-thiophen-2-ylethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-2-cyclopropyl-1-thiophen-2-ylethyl]piperazine;dihydrochloride is Cl.Cl.c1csc([C@H](CC2CC2)N2CCNCC2)c1.
What is the InChIKey of 1-[(1S)-2-cyclopropyl-1-thiophen-2-ylethyl]piperazine;dihydrochloride?
The InChIKey is YVPSBVFLMBLLBK-LTCKWSDVSA-N. The full InChI is InChI=1S/C13H20N2S.2ClH/c1-2-13(16-9-1)12(10-11-3-4-11)15-7-5-14-6-8-15;;/h1-2,9,11-12,14H,3-8,10H2;2*1H/t12-;;/m0../s1.
What are the key properties of 1-[(1S)-2-cyclopropyl-1-thiophen-2-ylethyl]piperazine;dihydrochloride?
1-[(1S)-2-cyclopropyl-1-thiophen-2-ylethyl]piperazine;dihydrochloride has a molecular weight of 309.31 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-cyclopropyl-1-thiophen-2-ylethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171281527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).