[(3S)-2-benzyl-2-azaspiro[4.5]decan-3-yl]methanol

C17H25NO — CID 168976217

IUPAC[(3S)-2-benzyl-2-azaspiro[4.5]decan-3-yl]methanol
SMILESOC[C@@H]1CC2(CCCCC2)CN1Cc1ccccc1
InChIInChI=1S/C17H25NO/c19-13-16-11-17(9-5-2-6-10-17)14-18(16)12-15-7-3-1-4-8-15/h1,3-4,7-8,16,19H,2,5-6,9-14H2/t16-/m0/s1
InChIKeyQQJVEFCVKHOTJN-INIZCTEOSA-N
MW259.39 g/mol
LogP3.20
Rot. Bonds3

About [(3S)-2-benzyl-2-azaspiro[4.5]decan-3-yl]methanol

[(3S)-2-benzyl-2-azaspiro[4.5]decan-3-yl]methanol (PubChem CID 168976217) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is [(3S)-2-benzyl-2-azaspiro[4.5]decan-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-2-benzyl-2-azaspiro[4.5]decan-3-yl]methanol
PubChem CID168976217
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name[(3S)-2-benzyl-2-azaspiro[4.5]decan-3-yl]methanol
SMILESOC[C@@H]1CC2(CCCCC2)CN1Cc1ccccc1
InChIInChI=1S/C17H25NO/c19-13-16-11-17(9-5-2-6-10-17)14-18(16)12-15-7-3-1-4-8-15/h1,3-4,7-8,16,19H,2,5-6,9-14H2/t16-/m0/s1
InChIKeyQQJVEFCVKHOTJN-INIZCTEOSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dibenzyl-2-azaspiro[4.5]decane
CID 10990798
2-benzyl-3-(iodomethyl)-2-azaspiro[5.5]undecane
CID 132849884
5-benzyl-5-azaspiro[2.4]heptane-6-carboxylic acid
CID 67355077
(3R,7aS)-3-phenylspiro[1,3,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-6,1'-cyclopropane]-5-one;[(6S)-5-azaspiro[2.4]heptan-6-yl]methanol;[(6S)-5-benzyl-5-azaspiro[2.4]heptan-6-yl]methanol
CID 158140725
(5R,6S)-2-benzyl-3-(bromomethyl)-2-azaspiro[4.5]decan-6-ol
CID 11382156
[(2R,6S)-1-benzyl-6-(hydroxymethyl)piperidin-2-yl](113C)methanol
CID 59404485
[(2S)-1-benzyl-5-methylpiperazin-2-yl]methanol
CID 178163540
(1,4-dibenzylpiperazin-2-yl)methanol
CID 10827800
(2-benzyl-2-azabicyclo[3.1.1]heptan-5-yl)methanol
CID 178002287
[(2R,4S)-1-benzyl-4-methylpyrrolidin-2-yl]methanol
CID 23248612
[(2R)-1-benzyl-4-methylidenepiperidin-2-yl]methanol
CID 66735635
2-methyl-1-[(3R)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decan-2-yl]propan-1-one
CID 164639715

Frequently Asked Questions

What is the IUPAC name of [(3S)-2-benzyl-2-azaspiro[4.5]decan-3-yl]methanol?
The IUPAC name of [(3S)-2-benzyl-2-azaspiro[4.5]decan-3-yl]methanol (CID 168976217) is [(3S)-2-benzyl-2-azaspiro[4.5]decan-3-yl]methanol.
What is the SMILES notation for [(3S)-2-benzyl-2-azaspiro[4.5]decan-3-yl]methanol?
The canonical SMILES for [(3S)-2-benzyl-2-azaspiro[4.5]decan-3-yl]methanol is OC[C@@H]1CC2(CCCCC2)CN1Cc1ccccc1.
What is the InChIKey of [(3S)-2-benzyl-2-azaspiro[4.5]decan-3-yl]methanol?
The InChIKey is QQJVEFCVKHOTJN-INIZCTEOSA-N. The full InChI is InChI=1S/C17H25NO/c19-13-16-11-17(9-5-2-6-10-17)14-18(16)12-15-7-3-1-4-8-15/h1,3-4,7-8,16,19H,2,5-6,9-14H2/t16-/m0/s1.
What are the key properties of [(3S)-2-benzyl-2-azaspiro[4.5]decan-3-yl]methanol?
[(3S)-2-benzyl-2-azaspiro[4.5]decan-3-yl]methanol has a molecular weight of 259.39 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-benzyl-2-azaspiro[4.5]decan-3-yl]methanol is sourced from PubChem (CID 168976217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).