1-[(S)-cyclopropyl-(5-methylthiophen-2-yl)methyl]piperazine;dihydrochloride

C13H22Cl2N2S — CID 171275666

IUPAC1-[(S)-cyclopropyl-(5-methylthiophen-2-yl)methyl]piperazine;dihydrochloride
SMILESCc1ccc([C@H](C2CC2)N2CCNCC2)s1.Cl.Cl
InChIInChI=1S/C13H20N2S.2ClH/c1-10-2-5-12(16-10)13(11-3-4-11)15-8-6-14-7-9-15;;/h2,5,11,13-14H,3-4,6-9H2,1H3;2*1H/t13-;;/m0../s1
InChIKeyWMKQIKVOIJIJAH-GXKRWWSZSA-N
MW309.31 g/mol
LogP3.26
Rot. Bonds3

About 1-[(S)-cyclopropyl-(5-methylthiophen-2-yl)methyl]piperazine;dihydrochloride

1-[(S)-cyclopropyl-(5-methylthiophen-2-yl)methyl]piperazine;dihydrochloride (PubChem CID 171275666) has the molecular formula C13H22Cl2N2S and a molecular weight of 309.31 g/mol. Its IUPAC name is 1-[(S)-cyclopropyl-(5-methylthiophen-2-yl)methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(S)-cyclopropyl-(5-methylthiophen-2-yl)methyl]piperazine;dihydrochloride
PubChem CID171275666
Molecular FormulaC13H22Cl2N2S
Molecular Weight309.31 g/mol
Exact Mass308.09
IUPAC Name1-[(S)-cyclopropyl-(5-methylthiophen-2-yl)methyl]piperazine;dihydrochloride
SMILESCc1ccc([C@H](C2CC2)N2CCNCC2)s1.Cl.Cl
InChIInChI=1S/C13H20N2S.2ClH/c1-10-2-5-12(16-10)13(11-3-4-11)15-8-6-14-7-9-15;;/h2,5,11,13-14H,3-4,6-9H2,1H3;2*1H/t13-;;/m0../s1
InChIKeyWMKQIKVOIJIJAH-GXKRWWSZSA-N
XLogP3.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(R)-cyclopentyl-(5-methylthiophen-2-yl)methyl]piperazine;dihydrochloride
CID 171288298
1-[(5-bromothiophen-2-yl)-cyclopropylmethyl]piperazine
CID 82308445
1-[(1S)-2,2-difluoro-1-(5-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride
CID 171275661
1-[(S)-cyclohexyl-(5-ethylthiophen-2-yl)methyl]piperazine
CID 171281355
1-[(1S)-2-fluoro-1-(5-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride
CID 171275662
1-[(S)-cyclopropyl-(3-methylthiophen-2-yl)methyl]piperazine;dihydrochloride
CID 171276198
1-[(1S)-1-(5-methylthiophen-2-yl)prop-2-enyl]piperazine
CID 131340109
1-[(1R)-2-methyl-1-(5-methylthiophen-2-yl)butyl]piperazine;dihydrochloride
CID 171304419
1-[(R)-cyclopropyl-(4-propan-2-ylphenyl)methyl]piperazine;dihydrochloride
CID 171286878
1-[(S)-(5-bromo-4-methylthiophen-2-yl)-(oxan-4-yl)methyl]piperazine
CID 171276314
1-[(S)-cyclopentyl-(4,5-dibromothiophen-2-yl)methyl]piperazine;dihydrochloride
CID 171283722
1-[(4-methylsulfanylphenyl)-(5-methylthiophen-2-yl)methyl]piperazine
CID 3347906

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclopropyl-(5-methylthiophen-2-yl)methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(S)-cyclopropyl-(5-methylthiophen-2-yl)methyl]piperazine;dihydrochloride (CID 171275666) is 1-[(S)-cyclopropyl-(5-methylthiophen-2-yl)methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(S)-cyclopropyl-(5-methylthiophen-2-yl)methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(S)-cyclopropyl-(5-methylthiophen-2-yl)methyl]piperazine;dihydrochloride is Cc1ccc([C@H](C2CC2)N2CCNCC2)s1.Cl.Cl.
What is the InChIKey of 1-[(S)-cyclopropyl-(5-methylthiophen-2-yl)methyl]piperazine;dihydrochloride?
The InChIKey is WMKQIKVOIJIJAH-GXKRWWSZSA-N. The full InChI is InChI=1S/C13H20N2S.2ClH/c1-10-2-5-12(16-10)13(11-3-4-11)15-8-6-14-7-9-15;;/h2,5,11,13-14H,3-4,6-9H2,1H3;2*1H/t13-;;/m0../s1.
What are the key properties of 1-[(S)-cyclopropyl-(5-methylthiophen-2-yl)methyl]piperazine;dihydrochloride?
1-[(S)-cyclopropyl-(5-methylthiophen-2-yl)methyl]piperazine;dihydrochloride has a molecular weight of 309.31 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-[(S)-cyclopropyl-(5-methylthiophen-2-yl)methyl]piperazine;dihydrochloride is sourced from PubChem (CID 171275666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).