(8-benzyl-1,4-dioxa-8-azaspiro[4.5]decan-6-yl)methanol

C15H21NO3 — CID 3563668

IUPAC(8-benzyl-1,4-dioxa-8-azaspiro[4.5]decan-6-yl)methanol
SMILESOCC1CN(Cc2ccccc2)CCC12OCCO2
InChIInChI=1S/C15H21NO3/c17-12-14-11-16(10-13-4-2-1-3-5-13)7-6-15(14)18-8-9-19-15/h1-5,14,17H,6-12H2
InChIKeyCPBVGVADXUSNKC-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.24
Rot. Bonds3

About (8-benzyl-1,4-dioxa-8-azaspiro[4.5]decan-6-yl)methanol

(8-benzyl-1,4-dioxa-8-azaspiro[4.5]decan-6-yl)methanol (PubChem CID 3563668) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (8-benzyl-1,4-dioxa-8-azaspiro[4.5]decan-6-yl)methanol.

Molecular Properties

Compound Name(8-benzyl-1,4-dioxa-8-azaspiro[4.5]decan-6-yl)methanol
PubChem CID3563668
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(8-benzyl-1,4-dioxa-8-azaspiro[4.5]decan-6-yl)methanol
SMILESOCC1CN(Cc2ccccc2)CCC12OCCO2
InChIInChI=1S/C15H21NO3/c17-12-14-11-16(10-13-4-2-1-3-5-13)7-6-15(14)18-8-9-19-15/h1-5,14,17H,6-12H2
InChIKeyCPBVGVADXUSNKC-UHFFFAOYSA-N
XLogP1.24
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8-benzyl-1,4-dioxa-8-azaspiro[4.5]decan-6-yl)methanol?
The IUPAC name of (8-benzyl-1,4-dioxa-8-azaspiro[4.5]decan-6-yl)methanol (CID 3563668) is (8-benzyl-1,4-dioxa-8-azaspiro[4.5]decan-6-yl)methanol.
What is the SMILES notation for (8-benzyl-1,4-dioxa-8-azaspiro[4.5]decan-6-yl)methanol?
The canonical SMILES for (8-benzyl-1,4-dioxa-8-azaspiro[4.5]decan-6-yl)methanol is OCC1CN(Cc2ccccc2)CCC12OCCO2.
What is the InChIKey of (8-benzyl-1,4-dioxa-8-azaspiro[4.5]decan-6-yl)methanol?
The InChIKey is CPBVGVADXUSNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c17-12-14-11-16(10-13-4-2-1-3-5-13)7-6-15(14)18-8-9-19-15/h1-5,14,17H,6-12H2.
What are the key properties of (8-benzyl-1,4-dioxa-8-azaspiro[4.5]decan-6-yl)methanol?
(8-benzyl-1,4-dioxa-8-azaspiro[4.5]decan-6-yl)methanol has a molecular weight of 263.34 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-benzyl-1,4-dioxa-8-azaspiro[4.5]decan-6-yl)methanol is sourced from PubChem (CID 3563668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).