(4R,5S)-7-(2-phenylethyl)-7-azaspiro[4.5]decan-4-ol

C17H25NO — CID 135089439

IUPAC(4R,5S)-7-(2-phenylethyl)-7-azaspiro[4.5]decan-4-ol
SMILESO[C@@H]1CCC[C@@]12CCCN(CCc1ccccc1)C2
InChIInChI=1S/C17H25NO/c19-16-8-4-10-17(16)11-5-12-18(14-17)13-9-15-6-2-1-3-7-15/h1-3,6-7,16,19H,4-5,8-14H2/t16-,17+/m1/s1
InChIKeyLZWONOPJRFJURE-SJORKVTESA-N
MW259.39 g/mol
LogP2.86
Rot. Bonds3

About (4R,5S)-7-(2-phenylethyl)-7-azaspiro[4.5]decan-4-ol

(4R,5S)-7-(2-phenylethyl)-7-azaspiro[4.5]decan-4-ol (PubChem CID 135089439) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is (4R,5S)-7-(2-phenylethyl)-7-azaspiro[4.5]decan-4-ol.

Molecular Properties

Compound Name(4R,5S)-7-(2-phenylethyl)-7-azaspiro[4.5]decan-4-ol
PubChem CID135089439
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name(4R,5S)-7-(2-phenylethyl)-7-azaspiro[4.5]decan-4-ol
SMILESO[C@@H]1CCC[C@@]12CCCN(CCc1ccccc1)C2
InChIInChI=1S/C17H25NO/c19-16-8-4-10-17(16)11-5-12-18(14-17)13-9-15-6-2-1-3-7-15/h1-3,6-7,16,19H,4-5,8-14H2/t16-,17+/m1/s1
InChIKeyLZWONOPJRFJURE-SJORKVTESA-N
XLogP2.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

formic acid;(4R,5R)-7-(2-phenylethyl)-7-azaspiro[4.5]decan-4-ol
CID 154915709
(4R,5R)-7-(4-phenylbutyl)-7-azaspiro[4.5]decan-4-ol
CID 135120621
(4R,5S)-7-(4-phenylmethoxybutyl)-7-azaspiro[4.5]decan-4-ol
CID 135098288
formic acid;(4R,5S)-7-(3-phenylmethoxypropyl)-7-azaspiro[4.5]decan-4-ol
CID 154918067
7-benzyl-7-azaspiro[4.5]decan-10-ol
CID 82384805
(4R,5S)-7-[(E)-3-phenylprop-2-enyl]-7-azaspiro[4.5]decan-4-ol
CID 165422452
formic acid;(4R,5R)-7-[[4-(2-phenylethoxy)phenyl]methyl]-7-azaspiro[4.5]decan-4-ol
CID 154918583
(4R,5S)-7-[(4-chlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol
CID 135097855
(1S,3R)-7-(2-phenylethyl)-7-azaspiro[3.5]nonane-1,3-diol
CID 72916080
(4R,5R)-7-[(2,6-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol
CID 135091462
3-amino-1-(2-phenylethyl)piperidine-3-carboxylic acid
CID 117011828
(4R,5R)-7-[[4-(2-methylphenyl)phenyl]methyl]-7-azaspiro[4.5]decan-4-ol
CID 135110130

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-7-(2-phenylethyl)-7-azaspiro[4.5]decan-4-ol?
The IUPAC name of (4R,5S)-7-(2-phenylethyl)-7-azaspiro[4.5]decan-4-ol (CID 135089439) is (4R,5S)-7-(2-phenylethyl)-7-azaspiro[4.5]decan-4-ol.
What is the SMILES notation for (4R,5S)-7-(2-phenylethyl)-7-azaspiro[4.5]decan-4-ol?
The canonical SMILES for (4R,5S)-7-(2-phenylethyl)-7-azaspiro[4.5]decan-4-ol is O[C@@H]1CCC[C@@]12CCCN(CCc1ccccc1)C2.
What is the InChIKey of (4R,5S)-7-(2-phenylethyl)-7-azaspiro[4.5]decan-4-ol?
The InChIKey is LZWONOPJRFJURE-SJORKVTESA-N. The full InChI is InChI=1S/C17H25NO/c19-16-8-4-10-17(16)11-5-12-18(14-17)13-9-15-6-2-1-3-7-15/h1-3,6-7,16,19H,4-5,8-14H2/t16-,17+/m1/s1.
What are the key properties of (4R,5S)-7-(2-phenylethyl)-7-azaspiro[4.5]decan-4-ol?
(4R,5S)-7-(2-phenylethyl)-7-azaspiro[4.5]decan-4-ol has a molecular weight of 259.39 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-7-(2-phenylethyl)-7-azaspiro[4.5]decan-4-ol is sourced from PubChem (CID 135089439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).