1-[(1R)-2-methyl-1-(5-methylthiophen-2-yl)butyl]piperazine;dihydrochloride

C14H26Cl2N2S — CID 171304419

IUPAC1-[(1R)-2-methyl-1-(5-methylthiophen-2-yl)butyl]piperazine;dihydrochloride
SMILESCCC(C)[C@H](c1ccc(C)s1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C14H24N2S.2ClH/c1-4-11(2)14(13-6-5-12(3)17-13)16-9-7-15-8-10-16;;/h5-6,11,14-15H,4,7-10H2,1-3H3;2*1H/t11?,14-;;/m1../s1
InChIKeyIHZXZNSRZIHAEQ-POEUQKCMSA-N
MW325.35 g/mol
LogP3.89
Rot. Bonds4

About 1-[(1R)-2-methyl-1-(5-methylthiophen-2-yl)butyl]piperazine;dihydrochloride

1-[(1R)-2-methyl-1-(5-methylthiophen-2-yl)butyl]piperazine;dihydrochloride (PubChem CID 171304419) has the molecular formula C14H26Cl2N2S and a molecular weight of 325.35 g/mol. Its IUPAC name is 1-[(1R)-2-methyl-1-(5-methylthiophen-2-yl)butyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-2-methyl-1-(5-methylthiophen-2-yl)butyl]piperazine;dihydrochloride
PubChem CID171304419
Molecular FormulaC14H26Cl2N2S
Molecular Weight325.35 g/mol
Exact Mass324.12
IUPAC Name1-[(1R)-2-methyl-1-(5-methylthiophen-2-yl)butyl]piperazine;dihydrochloride
SMILESCCC(C)[C@H](c1ccc(C)s1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C14H24N2S.2ClH/c1-4-11(2)14(13-6-5-12(3)17-13)16-9-7-15-8-10-16;;/h5-6,11,14-15H,4,7-10H2,1-3H3;2*1H/t11?,14-;;/m1../s1
InChIKeyIHZXZNSRZIHAEQ-POEUQKCMSA-N
XLogP3.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-2,2-difluoro-1-(5-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride
CID 171275661
1-[(1R)-1-(4,5-dibromothiophen-2-yl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304911
1-[(1S)-2-fluoro-1-(5-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride
CID 171275662
1-[(1S)-1-(2,6-dimethylphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305273
1-[(1S)-1-(4,5-dibromothiophen-2-yl)-2-methylbutyl]piperazine
CID 171305676
1-[(1S)-2-methyl-1-(2-methylphenyl)butyl]piperazine;dihydrochloride
CID 171305477
1-[(S)-cyclopropyl-(5-methylthiophen-2-yl)methyl]piperazine;dihydrochloride
CID 171275666
4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171304229
1-[(1S)-1-(5-methylthiophen-2-yl)prop-2-enyl]piperazine
CID 131340109
2,6-dimethyl-4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171304539
1-[(R)-cyclopentyl-(5-methylthiophen-2-yl)methyl]piperazine;dihydrochloride
CID 171288298
1-[(1R)-1-(4-fluoro-3-methylphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304499

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-methyl-1-(5-methylthiophen-2-yl)butyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-2-methyl-1-(5-methylthiophen-2-yl)butyl]piperazine;dihydrochloride (CID 171304419) is 1-[(1R)-2-methyl-1-(5-methylthiophen-2-yl)butyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-2-methyl-1-(5-methylthiophen-2-yl)butyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-2-methyl-1-(5-methylthiophen-2-yl)butyl]piperazine;dihydrochloride is CCC(C)[C@H](c1ccc(C)s1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-2-methyl-1-(5-methylthiophen-2-yl)butyl]piperazine;dihydrochloride?
The InChIKey is IHZXZNSRZIHAEQ-POEUQKCMSA-N. The full InChI is InChI=1S/C14H24N2S.2ClH/c1-4-11(2)14(13-6-5-12(3)17-13)16-9-7-15-8-10-16;;/h5-6,11,14-15H,4,7-10H2,1-3H3;2*1H/t11?,14-;;/m1../s1.
What are the key properties of 1-[(1R)-2-methyl-1-(5-methylthiophen-2-yl)butyl]piperazine;dihydrochloride?
1-[(1R)-2-methyl-1-(5-methylthiophen-2-yl)butyl]piperazine;dihydrochloride has a molecular weight of 325.35 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-methyl-1-(5-methylthiophen-2-yl)butyl]piperazine;dihydrochloride is sourced from PubChem (CID 171304419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).