1-[(1S)-1-(3-methylthiophen-2-yl)propyl]piperazine;dihydrochloride

C12H22Cl2N2S — CID 171276189

IUPAC1-[(1S)-1-(3-methylthiophen-2-yl)propyl]piperazine;dihydrochloride
SMILESCC[C@@H](c1sccc1C)N1CCNCC1.Cl.Cl
InChIInChI=1S/C12H20N2S.2ClH/c1-3-11(12-10(2)4-9-15-12)14-7-5-13-6-8-14;;/h4,9,11,13H,3,5-8H2,1-2H3;2*1H/t11-;;/m0../s1
InChIKeyMOPOKCOIINIPFJ-IDMXKUIJSA-N
MW297.29 g/mol
LogP3.26
Rot. Bonds3

About 1-[(1S)-1-(3-methylthiophen-2-yl)propyl]piperazine;dihydrochloride

1-[(1S)-1-(3-methylthiophen-2-yl)propyl]piperazine;dihydrochloride (PubChem CID 171276189) has the molecular formula C12H22Cl2N2S and a molecular weight of 297.29 g/mol. Its IUPAC name is 1-[(1S)-1-(3-methylthiophen-2-yl)propyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(3-methylthiophen-2-yl)propyl]piperazine;dihydrochloride
PubChem CID171276189
Molecular FormulaC12H22Cl2N2S
Molecular Weight297.29 g/mol
Exact Mass296.09
IUPAC Name1-[(1S)-1-(3-methylthiophen-2-yl)propyl]piperazine;dihydrochloride
SMILESCC[C@@H](c1sccc1C)N1CCNCC1.Cl.Cl
InChIInChI=1S/C12H20N2S.2ClH/c1-3-11(12-10(2)4-9-15-12)14-7-5-13-6-8-14;;/h4,9,11,13H,3,5-8H2,1-2H3;2*1H/t11-;;/m0../s1
InChIKeyMOPOKCOIINIPFJ-IDMXKUIJSA-N
XLogP3.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(3-methylthiophen-2-yl)hexyl]piperazine
CID 171308967
1-[(S)-cyclopropyl-(3-methylthiophen-2-yl)methyl]piperazine;dihydrochloride
CID 171276198
1-[(1S)-2,2,2-trifluoro-1-(3-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride
CID 171276192
1-[(1R)-2,2,2-trifluoro-1-(3-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride
CID 171288817
1-[(1R)-1-(2-methylphenyl)propyl]piperazine
CID 92754595
1-[(1R)-1-(4-methylphenyl)propyl]piperazine;dihydrochloride
CID 171294154
1-[(1R)-1-(2,3-dimethylphenyl)propyl]piperazine
CID 96660511
1-[(1R)-1-(3-chlorothiophen-2-yl)butyl]piperazine
CID 171288871
1-[(4-chlorophenyl)-(3-methylthiophen-2-yl)methyl]piperazine
CID 5002630
1-[(1R)-1-phenylpropyl]piperazine;dihydrochloride
CID 171295514
2-(3-methylthiophen-2-yl)-2-piperidin-1-ylethanol
CID 116860167
1-[(1S)-1-thiophen-3-ylpropyl]piperazine
CID 131188138

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(3-methylthiophen-2-yl)propyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-1-(3-methylthiophen-2-yl)propyl]piperazine;dihydrochloride (CID 171276189) is 1-[(1S)-1-(3-methylthiophen-2-yl)propyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-1-(3-methylthiophen-2-yl)propyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-1-(3-methylthiophen-2-yl)propyl]piperazine;dihydrochloride is CC[C@@H](c1sccc1C)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1S)-1-(3-methylthiophen-2-yl)propyl]piperazine;dihydrochloride?
The InChIKey is MOPOKCOIINIPFJ-IDMXKUIJSA-N. The full InChI is InChI=1S/C12H20N2S.2ClH/c1-3-11(12-10(2)4-9-15-12)14-7-5-13-6-8-14;;/h4,9,11,13H,3,5-8H2,1-2H3;2*1H/t11-;;/m0../s1.
What are the key properties of 1-[(1S)-1-(3-methylthiophen-2-yl)propyl]piperazine;dihydrochloride?
1-[(1S)-1-(3-methylthiophen-2-yl)propyl]piperazine;dihydrochloride has a molecular weight of 297.29 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(3-methylthiophen-2-yl)propyl]piperazine;dihydrochloride is sourced from PubChem (CID 171276189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).