[(4S)-2-benzyl-2,8-diazaspiro[4.5]decan-4-yl]methanol

C16H24N2O — CID 99728174

IUPAC[(4S)-2-benzyl-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESOC[C@@H]1CN(Cc2ccccc2)CC12CCNCC2
InChIInChI=1S/C16H24N2O/c19-12-15-11-18(10-14-4-2-1-3-5-14)13-16(15)6-8-17-9-7-16/h1-5,15,17,19H,6-13H2/t15-/m0/s1
InChIKeyUMYNZFZEJVNNGG-HNNXBMFYSA-N
MW260.38 g/mol
LogP1.48
Rot. Bonds3

About [(4S)-2-benzyl-2,8-diazaspiro[4.5]decan-4-yl]methanol

[(4S)-2-benzyl-2,8-diazaspiro[4.5]decan-4-yl]methanol (PubChem CID 99728174) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is [(4S)-2-benzyl-2,8-diazaspiro[4.5]decan-4-yl]methanol.

Molecular Properties

Compound Name[(4S)-2-benzyl-2,8-diazaspiro[4.5]decan-4-yl]methanol
PubChem CID99728174
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name[(4S)-2-benzyl-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESOC[C@@H]1CN(Cc2ccccc2)CC12CCNCC2
InChIInChI=1S/C16H24N2O/c19-12-15-11-18(10-14-4-2-1-3-5-14)13-16(15)6-8-17-9-7-16/h1-5,15,17,19H,6-13H2/t15-/m0/s1
InChIKeyUMYNZFZEJVNNGG-HNNXBMFYSA-N
XLogP1.48
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(3-ethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 91921720
[2-[(3-bromo-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 91921719
(8-benzyl-8-azaspiro[4.5]decan-10-yl)methanol
CID 22495756
[2-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 91921711
[1-benzyl-4-(hydroxymethyl)-4-methylpyrrolidin-3-yl]methanol
CID 130151390
[2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(furan-2-yl)methanone
CID 91924984
[(8R)-6-benzyl-6-azaspiro[3.4]octan-8-yl]methanamine
CID 125424290
5-benzyl-5-azaspiro[2.4]heptan-7-ol
CID 58452923
[2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(oxan-4-yl)methanone
CID 91910416
2-benzyl-6-ethyl-2,8-diazaspiro[4.5]decane
CID 79320158
[2-benzyl-8-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 176970640
tert-butyl (5R)-7-benzyl-5-(hydroxymethyl)-2,7-diazaspiro[3.4]octane-2-carboxylate
CID 155903866

Frequently Asked Questions

What is the IUPAC name of [(4S)-2-benzyl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The IUPAC name of [(4S)-2-benzyl-2,8-diazaspiro[4.5]decan-4-yl]methanol (CID 99728174) is [(4S)-2-benzyl-2,8-diazaspiro[4.5]decan-4-yl]methanol.
What is the SMILES notation for [(4S)-2-benzyl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The canonical SMILES for [(4S)-2-benzyl-2,8-diazaspiro[4.5]decan-4-yl]methanol is OC[C@@H]1CN(Cc2ccccc2)CC12CCNCC2.
What is the InChIKey of [(4S)-2-benzyl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The InChIKey is UMYNZFZEJVNNGG-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H24N2O/c19-12-15-11-18(10-14-4-2-1-3-5-14)13-16(15)6-8-17-9-7-16/h1-5,15,17,19H,6-13H2/t15-/m0/s1.
What are the key properties of [(4S)-2-benzyl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
[(4S)-2-benzyl-2,8-diazaspiro[4.5]decan-4-yl]methanol has a molecular weight of 260.38 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-2-benzyl-2,8-diazaspiro[4.5]decan-4-yl]methanol is sourced from PubChem (CID 99728174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).