1-[(S)-(5-bromofuran-2-yl)-cyclohexylmethyl]piperazine;dihydrochloride

C15H25BrCl2N2O — CID 171273970

IUPAC1-[(S)-(5-bromofuran-2-yl)-cyclohexylmethyl]piperazine;dihydrochloride
SMILESBrc1ccc(C(C2CCCCC2)N2CCNCC2)o1.Cl.Cl
InChIInChI=1S/C15H23BrN2O.2ClH/c16-14-7-6-13(19-14)15(12-4-2-1-3-5-12)18-10-8-17-9-11-18;;/h6-7,12,15,17H,1-5,8-11H2;2*1H
InChIKeyMXLDKGGABCIXRA-UHFFFAOYSA-N
MW400.19 g/mol
LogP4.41
Rot. Bonds3

About 1-[(S)-(5-bromofuran-2-yl)-cyclohexylmethyl]piperazine;dihydrochloride

1-[(S)-(5-bromofuran-2-yl)-cyclohexylmethyl]piperazine;dihydrochloride (PubChem CID 171273970) has the molecular formula C15H25BrCl2N2O and a molecular weight of 400.19 g/mol. Its IUPAC name is 1-[(S)-(5-bromofuran-2-yl)-cyclohexylmethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(S)-(5-bromofuran-2-yl)-cyclohexylmethyl]piperazine;dihydrochloride
PubChem CID171273970
Molecular FormulaC15H25BrCl2N2O
Molecular Weight400.19 g/mol
Exact Mass398.05
IUPAC Name1-[(S)-(5-bromofuran-2-yl)-cyclohexylmethyl]piperazine;dihydrochloride
SMILESBrc1ccc(C(C2CCCCC2)N2CCNCC2)o1.Cl.Cl
InChIInChI=1S/C15H23BrN2O.2ClH/c16-14-7-6-13(19-14)15(12-4-2-1-3-5-12)18-10-8-17-9-11-18;;/h6-7,12,15,17H,1-5,8-11H2;2*1H
InChIKeyMXLDKGGABCIXRA-UHFFFAOYSA-N
XLogP4.41
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.19
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(S)-cyclohexyl-(5-ethylfuran-2-yl)methyl]piperazine
CID 171282516
1-[(R)-cyclohexyl(furan-2-yl)methyl]piperazine;dihydrochloride
CID 171294118
1-[(R)-cyclohexyl(furan-2-yl)methyl]piperazine
CID 171294117
1-[(S)-cyclohexyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride
CID 171283650
1-[(R)-cyclohexyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride
CID 171296270
1-[(S)-cyclopentyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride
CID 171283648
1-[(S)-(4-chlorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171281574
1-[(S)-cyclopentyl-(4,5-dibromothiophen-2-yl)methyl]piperazine;dihydrochloride
CID 171283722
1-[(R)-(2-bromo-5-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171288497
1-[(S)-(5-bromo-2-chlorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171276894
1-[(R)-(3-bromo-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171289324
1-[(S)-(2-bromo-4-fluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride
CID 171163412

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(5-bromofuran-2-yl)-cyclohexylmethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(S)-(5-bromofuran-2-yl)-cyclohexylmethyl]piperazine;dihydrochloride (CID 171273970) is 1-[(S)-(5-bromofuran-2-yl)-cyclohexylmethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(S)-(5-bromofuran-2-yl)-cyclohexylmethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(S)-(5-bromofuran-2-yl)-cyclohexylmethyl]piperazine;dihydrochloride is Brc1ccc(C(C2CCCCC2)N2CCNCC2)o1.Cl.Cl.
What is the InChIKey of 1-[(S)-(5-bromofuran-2-yl)-cyclohexylmethyl]piperazine;dihydrochloride?
The InChIKey is MXLDKGGABCIXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O.2ClH/c16-14-7-6-13(19-14)15(12-4-2-1-3-5-12)18-10-8-17-9-11-18;;/h6-7,12,15,17H,1-5,8-11H2;2*1H.
What are the key properties of 1-[(S)-(5-bromofuran-2-yl)-cyclohexylmethyl]piperazine;dihydrochloride?
1-[(S)-(5-bromofuran-2-yl)-cyclohexylmethyl]piperazine;dihydrochloride has a molecular weight of 400.19 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(5-bromofuran-2-yl)-cyclohexylmethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171273970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).