1-[(S)-cyclopentyl-(4,5-dibromothiophen-2-yl)methyl]piperazine;dihydrochloride

C14H22Br2Cl2N2S — CID 171283722

IUPAC1-[(S)-cyclopentyl-(4,5-dibromothiophen-2-yl)methyl]piperazine;dihydrochloride
SMILESBrc1cc(C(C2CCCC2)N2CCNCC2)sc1Br.Cl.Cl
InChIInChI=1S/C14H20Br2N2S.2ClH/c15-11-9-12(19-14(11)16)13(10-3-1-2-4-10)18-7-5-17-6-8-18;;/h9-10,13,17H,1-8H2;2*1H
InChIKeyWLWWVOYXTWYGEQ-UHFFFAOYSA-N
MW481.13 g/mol
LogP5.25
Rot. Bonds3

About 1-[(S)-cyclopentyl-(4,5-dibromothiophen-2-yl)methyl]piperazine;dihydrochloride

1-[(S)-cyclopentyl-(4,5-dibromothiophen-2-yl)methyl]piperazine;dihydrochloride (PubChem CID 171283722) has the molecular formula C14H22Br2Cl2N2S and a molecular weight of 481.13 g/mol. Its IUPAC name is 1-[(S)-cyclopentyl-(4,5-dibromothiophen-2-yl)methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(S)-cyclopentyl-(4,5-dibromothiophen-2-yl)methyl]piperazine;dihydrochloride
PubChem CID171283722
Molecular FormulaC14H22Br2Cl2N2S
Molecular Weight481.13 g/mol
Exact Mass477.92
IUPAC Name1-[(S)-cyclopentyl-(4,5-dibromothiophen-2-yl)methyl]piperazine;dihydrochloride
SMILESBrc1cc(C(C2CCCC2)N2CCNCC2)sc1Br.Cl.Cl
InChIInChI=1S/C14H20Br2N2S.2ClH/c15-11-9-12(19-14(11)16)13(10-3-1-2-4-10)18-7-5-17-6-8-18;;/h9-10,13,17H,1-8H2;2*1H
InChIKeyWLWWVOYXTWYGEQ-UHFFFAOYSA-N
XLogP5.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.13
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(4,5-dibromothiophen-2-yl)ethyl]piperazine
CID 131430761
1-[(S)-(5-bromo-4-methylthiophen-2-yl)-(oxan-4-yl)methyl]piperazine
CID 171276314
1-[(S)-cyclopentyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride
CID 171283648
1-[(R)-cyclopentyl-(5-methylthiophen-2-yl)methyl]piperazine;dihydrochloride
CID 171288298
3,5-dibromo-2-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171299813
1-[(S)-cyclohexyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride
CID 171283650
1-[(R)-cyclohexyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride
CID 171296270
1-[(R)-(6-bromo-1,3-benzodioxol-5-yl)-cyclopentylmethyl]piperazine;dihydrochloride
CID 171294905
1-[(1S)-1-(4,5-dibromothiophen-2-yl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171283711
3,5-dibromo-2-[(S)-cyclopentyl(piperazin-1-yl)methyl]phenol
CID 171297333
1-[(R)-(6-bromo-1,3-benzodioxol-5-yl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171294907
1-[(5-bromothiophen-2-yl)-cyclopropylmethyl]piperazine
CID 82308445

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclopentyl-(4,5-dibromothiophen-2-yl)methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(S)-cyclopentyl-(4,5-dibromothiophen-2-yl)methyl]piperazine;dihydrochloride (CID 171283722) is 1-[(S)-cyclopentyl-(4,5-dibromothiophen-2-yl)methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(S)-cyclopentyl-(4,5-dibromothiophen-2-yl)methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(S)-cyclopentyl-(4,5-dibromothiophen-2-yl)methyl]piperazine;dihydrochloride is Brc1cc(C(C2CCCC2)N2CCNCC2)sc1Br.Cl.Cl.
What is the InChIKey of 1-[(S)-cyclopentyl-(4,5-dibromothiophen-2-yl)methyl]piperazine;dihydrochloride?
The InChIKey is WLWWVOYXTWYGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2N2S.2ClH/c15-11-9-12(19-14(11)16)13(10-3-1-2-4-10)18-7-5-17-6-8-18;;/h9-10,13,17H,1-8H2;2*1H.
What are the key properties of 1-[(S)-cyclopentyl-(4,5-dibromothiophen-2-yl)methyl]piperazine;dihydrochloride?
1-[(S)-cyclopentyl-(4,5-dibromothiophen-2-yl)methyl]piperazine;dihydrochloride has a molecular weight of 481.13 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclopentyl-(4,5-dibromothiophen-2-yl)methyl]piperazine;dihydrochloride is sourced from PubChem (CID 171283722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).