1-[(1R)-2-cyclopropyl-1-(5-ethylthiophen-2-yl)ethyl]piperazine;dihydrochloride

C15H26Cl2N2S — CID 171293988

IUPAC1-[(1R)-2-cyclopropyl-1-(5-ethylthiophen-2-yl)ethyl]piperazine;dihydrochloride
SMILESCCc1ccc([C@@H](CC2CC2)N2CCNCC2)s1.Cl.Cl
InChIInChI=1S/C15H24N2S.2ClH/c1-2-13-5-6-15(18-13)14(11-12-3-4-12)17-9-7-16-8-10-17;;/h5-6,12,14,16H,2-4,7-11H2,1H3;2*1H/t14-;;/m1../s1
InChIKeyBKPHFBJNYBBPDD-FMOMHUKBSA-N
MW337.36 g/mol
LogP3.90
Rot. Bonds5

About 1-[(1R)-2-cyclopropyl-1-(5-ethylthiophen-2-yl)ethyl]piperazine;dihydrochloride

1-[(1R)-2-cyclopropyl-1-(5-ethylthiophen-2-yl)ethyl]piperazine;dihydrochloride (PubChem CID 171293988) has the molecular formula C15H26Cl2N2S and a molecular weight of 337.36 g/mol. Its IUPAC name is 1-[(1R)-2-cyclopropyl-1-(5-ethylthiophen-2-yl)ethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-2-cyclopropyl-1-(5-ethylthiophen-2-yl)ethyl]piperazine;dihydrochloride
PubChem CID171293988
Molecular FormulaC15H26Cl2N2S
Molecular Weight337.36 g/mol
Exact Mass336.12
IUPAC Name1-[(1R)-2-cyclopropyl-1-(5-ethylthiophen-2-yl)ethyl]piperazine;dihydrochloride
SMILESCCc1ccc([C@@H](CC2CC2)N2CCNCC2)s1.Cl.Cl
InChIInChI=1S/C15H24N2S.2ClH/c1-2-13-5-6-15(18-13)14(11-12-3-4-12)17-9-7-16-8-10-17;;/h5-6,12,14,16H,2-4,7-11H2,1H3;2*1H/t14-;;/m1../s1
InChIKeyBKPHFBJNYBBPDD-FMOMHUKBSA-N
XLogP3.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(5-ethylthiophen-2-yl)-3-methylbutyl]piperazine;dihydrochloride
CID 171281368
1-[(1S)-1-(5-ethylthiophen-2-yl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171302999
1-[(1R)-1-(5-ethylthiophen-2-yl)-4-methylpentyl]piperazine;dihydrochloride
CID 171311160
1-[(S)-cyclohexyl-(5-ethylthiophen-2-yl)methyl]piperazine
CID 171281355
1-[(1S)-2-cyclopropyl-1-thiophen-2-ylethyl]piperazine;dihydrochloride
CID 171281527
1-[(1R)-2-cyclopropyl-1-thiophen-2-ylethyl]piperazine
CID 171294145
1-[1-(5-ethylthiophen-2-yl)-2-pyridin-2-ylethyl]piperazine
CID 4642854
[4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]phenoxy]-trimethylsilane;dihydrochloride
CID 171279042
1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine;dihydrochloride
CID 171288682
1-[(1S)-2-cyclopropyl-1-(4-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171273249
4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171285197
1-[(1S)-2-cyclopropyl-1-(2,4,6-trimethylphenyl)ethyl]piperazine;dihydrochloride
CID 171277972

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-cyclopropyl-1-(5-ethylthiophen-2-yl)ethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-2-cyclopropyl-1-(5-ethylthiophen-2-yl)ethyl]piperazine;dihydrochloride (CID 171293988) is 1-[(1R)-2-cyclopropyl-1-(5-ethylthiophen-2-yl)ethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-2-cyclopropyl-1-(5-ethylthiophen-2-yl)ethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-2-cyclopropyl-1-(5-ethylthiophen-2-yl)ethyl]piperazine;dihydrochloride is CCc1ccc([C@@H](CC2CC2)N2CCNCC2)s1.Cl.Cl.
What is the InChIKey of 1-[(1R)-2-cyclopropyl-1-(5-ethylthiophen-2-yl)ethyl]piperazine;dihydrochloride?
The InChIKey is BKPHFBJNYBBPDD-FMOMHUKBSA-N. The full InChI is InChI=1S/C15H24N2S.2ClH/c1-2-13-5-6-15(18-13)14(11-12-3-4-12)17-9-7-16-8-10-17;;/h5-6,12,14,16H,2-4,7-11H2,1H3;2*1H/t14-;;/m1../s1.
What are the key properties of 1-[(1R)-2-cyclopropyl-1-(5-ethylthiophen-2-yl)ethyl]piperazine;dihydrochloride?
1-[(1R)-2-cyclopropyl-1-(5-ethylthiophen-2-yl)ethyl]piperazine;dihydrochloride has a molecular weight of 337.36 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-cyclopropyl-1-(5-ethylthiophen-2-yl)ethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171293988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).