2-[(3,4-dibromophenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride

C15H21Br2ClN2 — CID 120906816

IUPAC2-[(3,4-dibromophenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
SMILESBrc1ccc(CN2CCC3(CCNCC3)C2)cc1Br.Cl
InChIInChI=1S/C15H20Br2N2.ClH/c16-13-2-1-12(9-14(13)17)10-19-8-5-15(11-19)3-6-18-7-4-15;/h1-2,9,18H,3-8,10-11H2;1H
InChIKeyFXXYOSHQINNYTB-UHFFFAOYSA-N
MW424.61 g/mol
LogP4.21
Rot. Bonds2

About 2-[(3,4-dibromophenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride

2-[(3,4-dibromophenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride (PubChem CID 120906816) has the molecular formula C15H21Br2ClN2 and a molecular weight of 424.61 g/mol. Its IUPAC name is 2-[(3,4-dibromophenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride.

Molecular Properties

Compound Name2-[(3,4-dibromophenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
PubChem CID120906816
Molecular FormulaC15H21Br2ClN2
Molecular Weight424.61 g/mol
Exact Mass421.98
IUPAC Name2-[(3,4-dibromophenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
SMILESBrc1ccc(CN2CCC3(CCNCC3)C2)cc1Br.Cl
InChIInChI=1S/C15H20Br2N2.ClH/c16-13-2-1-12(9-14(13)17)10-19-8-5-15(11-19)3-6-18-7-4-15;/h1-2,9,18H,3-8,10-11H2;1H
InChIKeyFXXYOSHQINNYTB-UHFFFAOYSA-N
XLogP4.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.61
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dibromophenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
The IUPAC name of 2-[(3,4-dibromophenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride (CID 120906816) is 2-[(3,4-dibromophenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride.
What is the SMILES notation for 2-[(3,4-dibromophenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
The canonical SMILES for 2-[(3,4-dibromophenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride is Brc1ccc(CN2CCC3(CCNCC3)C2)cc1Br.Cl.
What is the InChIKey of 2-[(3,4-dibromophenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
The InChIKey is FXXYOSHQINNYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Br2N2.ClH/c16-13-2-1-12(9-14(13)17)10-19-8-5-15(11-19)3-6-18-7-4-15;/h1-2,9,18H,3-8,10-11H2;1H.
What are the key properties of 2-[(3,4-dibromophenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
2-[(3,4-dibromophenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride has a molecular weight of 424.61 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dibromophenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride is sourced from PubChem (CID 120906816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).