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

C13H22Cl2N2S — CID 171276198

IUPAC1-[(S)-cyclopropyl-(3-methylthiophen-2-yl)methyl]piperazine;dihydrochloride
SMILESCc1ccsc1[C@H](C1CC1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C13H20N2S.2ClH/c1-10-4-9-16-13(10)12(11-2-3-11)15-7-5-14-6-8-15;;/h4,9,11-12,14H,2-3,5-8H2,1H3;2*1H/t12-;;/m0../s1
InChIKeyYWAUEYNOJJSFGZ-LTCKWSDVSA-N
MW309.31 g/mol
LogP3.26
Rot. Bonds3

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

1-[(S)-cyclopropyl-(3-methylthiophen-2-yl)methyl]piperazine;dihydrochloride (PubChem CID 171276198) has the molecular formula C13H22Cl2N2S and a molecular weight of 309.31 g/mol. Its IUPAC name is 1-[(S)-cyclopropyl-(3-methylthiophen-2-yl)methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(S)-cyclopropyl-(3-methylthiophen-2-yl)methyl]piperazine;dihydrochloride
PubChem CID171276198
Molecular FormulaC13H22Cl2N2S
Molecular Weight309.31 g/mol
Exact Mass308.09
IUPAC Name1-[(S)-cyclopropyl-(3-methylthiophen-2-yl)methyl]piperazine;dihydrochloride
SMILESCc1ccsc1[C@H](C1CC1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C13H20N2S.2ClH/c1-10-4-9-16-13(10)12(11-2-3-11)15-7-5-14-6-8-15;;/h4,9,11-12,14H,2-3,5-8H2,1H3;2*1H/t12-;;/m0../s1
InChIKeyYWAUEYNOJJSFGZ-LTCKWSDVSA-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)-(3-chlorothiophen-2-yl)-cyclopropylmethyl]piperazine
CID 171288857
1-[(1S)-1-(3-methylthiophen-2-yl)propyl]piperazine;dihydrochloride
CID 171276189
1-[(S)-(3-chlorothiophen-2-yl)-cyclopentylmethyl]piperazine
CID 171276236
1-[(1R)-2,2,2-trifluoro-1-(3-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride
CID 171288817
1-[(1S)-2,2,2-trifluoro-1-(3-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride
CID 171276192
1-[(S)-cyclopropyl-(5-methylthiophen-2-yl)methyl]piperazine;dihydrochloride
CID 171275666
1-[(R)-cyclopropyl-(4-propan-2-ylphenyl)methyl]piperazine;dihydrochloride
CID 171286878
1-[(4-chlorophenyl)-(3-methylthiophen-2-yl)methyl]piperazine
CID 5002630
3-[1-(3-methylthiophen-2-yl)ethyl]pyrrolidine
CID 112715433
1-[(1S)-1-(3-methylthiophen-2-yl)hexyl]piperazine
CID 171308967
6-amino-2-[(R)-cyclopropyl(piperazin-1-yl)methyl]-3-methylphenol;dihydrochloride
CID 171300529
1-[(R)-cyclopropyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride
CID 171295234

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclopropyl-(3-methylthiophen-2-yl)methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(S)-cyclopropyl-(3-methylthiophen-2-yl)methyl]piperazine;dihydrochloride (CID 171276198) is 1-[(S)-cyclopropyl-(3-methylthiophen-2-yl)methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(S)-cyclopropyl-(3-methylthiophen-2-yl)methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(S)-cyclopropyl-(3-methylthiophen-2-yl)methyl]piperazine;dihydrochloride is Cc1ccsc1[C@H](C1CC1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(S)-cyclopropyl-(3-methylthiophen-2-yl)methyl]piperazine;dihydrochloride?
The InChIKey is YWAUEYNOJJSFGZ-LTCKWSDVSA-N. The full InChI is InChI=1S/C13H20N2S.2ClH/c1-10-4-9-16-13(10)12(11-2-3-11)15-7-5-14-6-8-15;;/h4,9,11-12,14H,2-3,5-8H2,1H3;2*1H/t12-;;/m0../s1.
What are the key properties of 1-[(S)-cyclopropyl-(3-methylthiophen-2-yl)methyl]piperazine;dihydrochloride?
1-[(S)-cyclopropyl-(3-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-(3-methylthiophen-2-yl)methyl]piperazine;dihydrochloride is sourced from PubChem (CID 171276198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).