(8-benzyl-8-azaspiro[4.5]decan-10-yl)methanol

C17H25NO — CID 22495756

IUPAC(8-benzyl-8-azaspiro[4.5]decan-10-yl)methanol
SMILESOCC1CN(Cc2ccccc2)CCC12CCCC2
InChIInChI=1S/C17H25NO/c19-14-16-13-18(12-15-6-2-1-3-7-15)11-10-17(16)8-4-5-9-17/h1-3,6-7,16,19H,4-5,8-14H2
InChIKeyGWLPOIACPFITKH-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.06
Rot. Bonds3

About (8-benzyl-8-azaspiro[4.5]decan-10-yl)methanol

(8-benzyl-8-azaspiro[4.5]decan-10-yl)methanol (PubChem CID 22495756) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is (8-benzyl-8-azaspiro[4.5]decan-10-yl)methanol.

Molecular Properties

Compound Name(8-benzyl-8-azaspiro[4.5]decan-10-yl)methanol
PubChem CID22495756
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name(8-benzyl-8-azaspiro[4.5]decan-10-yl)methanol
SMILESOCC1CN(Cc2ccccc2)CCC12CCCC2
InChIInChI=1S/C17H25NO/c19-14-16-13-18(12-15-6-2-1-3-7-15)11-10-17(16)8-4-5-9-17/h1-3,6-7,16,19H,4-5,8-14H2
InChIKeyGWLPOIACPFITKH-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8-benzyl-8-azaspiro[4.5]decan-10-yl)methanol?
The IUPAC name of (8-benzyl-8-azaspiro[4.5]decan-10-yl)methanol (CID 22495756) is (8-benzyl-8-azaspiro[4.5]decan-10-yl)methanol.
What is the SMILES notation for (8-benzyl-8-azaspiro[4.5]decan-10-yl)methanol?
The canonical SMILES for (8-benzyl-8-azaspiro[4.5]decan-10-yl)methanol is OCC1CN(Cc2ccccc2)CCC12CCCC2.
What is the InChIKey of (8-benzyl-8-azaspiro[4.5]decan-10-yl)methanol?
The InChIKey is GWLPOIACPFITKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c19-14-16-13-18(12-15-6-2-1-3-7-15)11-10-17(16)8-4-5-9-17/h1-3,6-7,16,19H,4-5,8-14H2.
What are the key properties of (8-benzyl-8-azaspiro[4.5]decan-10-yl)methanol?
(8-benzyl-8-azaspiro[4.5]decan-10-yl)methanol has a molecular weight of 259.39 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-benzyl-8-azaspiro[4.5]decan-10-yl)methanol is sourced from PubChem (CID 22495756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).