(5R,6S)-2-benzyl-3-(bromomethyl)-2-azaspiro[4.5]decan-6-ol

C17H24BrNO — CID 11382156

IUPAC(5R,6S)-2-benzyl-3-(bromomethyl)-2-azaspiro[4.5]decan-6-ol
SMILESO[C@H]1CCCC[C@]12CC(CBr)N(Cc1ccccc1)C2
InChIInChI=1S/C17H24BrNO/c18-11-15-10-17(9-5-4-8-16(17)20)13-19(15)12-14-6-2-1-3-7-14/h1-3,6-7,15-16,20H,4-5,8-13H2/t15?,16-,17+/m0/s1
InChIKeyUMVPUPFJKFIXPJ-LRUHZDSUSA-N
MW338.29 g/mol
LogP3.58
Rot. Bonds3

About (5R,6S)-2-benzyl-3-(bromomethyl)-2-azaspiro[4.5]decan-6-ol

(5R,6S)-2-benzyl-3-(bromomethyl)-2-azaspiro[4.5]decan-6-ol (PubChem CID 11382156) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is (5R,6S)-2-benzyl-3-(bromomethyl)-2-azaspiro[4.5]decan-6-ol.

Molecular Properties

Compound Name(5R,6S)-2-benzyl-3-(bromomethyl)-2-azaspiro[4.5]decan-6-ol
PubChem CID11382156
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC Name(5R,6S)-2-benzyl-3-(bromomethyl)-2-azaspiro[4.5]decan-6-ol
SMILESO[C@H]1CCCC[C@]12CC(CBr)N(Cc1ccccc1)C2
InChIInChI=1S/C17H24BrNO/c18-11-15-10-17(9-5-4-8-16(17)20)13-19(15)12-14-6-2-1-3-7-14/h1-3,6-7,15-16,20H,4-5,8-13H2/t15?,16-,17+/m0/s1
InChIKeyUMVPUPFJKFIXPJ-LRUHZDSUSA-N
XLogP3.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

7-benzyl-7-azaspiro[4.5]decan-10-ol
CID 82384805
(2R)-1-benzyl-2-(bromomethyl)piperidine;hydrochloride
CID 67264853
[(3S)-2-benzyl-2-azaspiro[4.5]decan-3-yl]methanol
CID 168976217
2,3-dibenzyl-2-azaspiro[4.5]decane
CID 10990798
2-benzyl-2,10-diazaspiro[4.6]undecan-6-ol
CID 83488694
2-benzyl-3-(iodomethyl)-2-azaspiro[5.5]undecane
CID 132849884
(4R,5S)-7-(2-phenylethyl)-7-azaspiro[4.5]decan-4-ol
CID 135089439
(1S,5R,6S,9R)-2-benzyl-5-methyl-2-azabicyclo[3.3.1]nonane-6,9-diol
CID 134834620
5-benzyl-5-azaspiro[2.4]heptan-7-ol
CID 58452923
1-benzyl-3-cyclopentylazepan-3-ol
CID 83826093
5-benzyl-5-azaspiro[2.4]heptane-6-carboxylic acid
CID 67355077
7-benzyl-7-azaspiro[4.5]decan-10-amine
CID 82385401

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-2-benzyl-3-(bromomethyl)-2-azaspiro[4.5]decan-6-ol?
The IUPAC name of (5R,6S)-2-benzyl-3-(bromomethyl)-2-azaspiro[4.5]decan-6-ol (CID 11382156) is (5R,6S)-2-benzyl-3-(bromomethyl)-2-azaspiro[4.5]decan-6-ol.
What is the SMILES notation for (5R,6S)-2-benzyl-3-(bromomethyl)-2-azaspiro[4.5]decan-6-ol?
The canonical SMILES for (5R,6S)-2-benzyl-3-(bromomethyl)-2-azaspiro[4.5]decan-6-ol is O[C@H]1CCCC[C@]12CC(CBr)N(Cc1ccccc1)C2.
What is the InChIKey of (5R,6S)-2-benzyl-3-(bromomethyl)-2-azaspiro[4.5]decan-6-ol?
The InChIKey is UMVPUPFJKFIXPJ-LRUHZDSUSA-N. The full InChI is InChI=1S/C17H24BrNO/c18-11-15-10-17(9-5-4-8-16(17)20)13-19(15)12-14-6-2-1-3-7-14/h1-3,6-7,15-16,20H,4-5,8-13H2/t15?,16-,17+/m0/s1.
What are the key properties of (5R,6S)-2-benzyl-3-(bromomethyl)-2-azaspiro[4.5]decan-6-ol?
(5R,6S)-2-benzyl-3-(bromomethyl)-2-azaspiro[4.5]decan-6-ol has a molecular weight of 338.29 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-2-benzyl-3-(bromomethyl)-2-azaspiro[4.5]decan-6-ol is sourced from PubChem (CID 11382156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).