2-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-6-methoxyphenol

C17H26N2O2 — CID 102849331

IUPAC2-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-6-methoxyphenol
SMILESCOc1cccc(CN2CCCC3(CCCNC3)C2)c1O
InChIInChI=1S/C17H26N2O2/c1-21-15-6-2-5-14(16(15)20)11-19-10-4-8-17(13-19)7-3-9-18-12-17/h2,5-6,18,20H,3-4,7-13H2,1H3
InChIKeySVXZRDIBFLVJEQ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.37
Rot. Bonds3

About 2-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-6-methoxyphenol

2-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-6-methoxyphenol (PubChem CID 102849331) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-6-methoxyphenol.

Molecular Properties

Compound Name2-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-6-methoxyphenol
PubChem CID102849331
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-6-methoxyphenol
SMILESCOc1cccc(CN2CCCC3(CCCNC3)C2)c1O
InChIInChI=1S/C17H26N2O2/c1-21-15-6-2-5-14(16(15)20)11-19-10-4-8-17(13-19)7-3-9-18-12-17/h2,5-6,18,20H,3-4,7-13H2,1H3
InChIKeySVXZRDIBFLVJEQ-UHFFFAOYSA-N
XLogP2.37
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-6-methoxyphenol?
The IUPAC name of 2-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-6-methoxyphenol (CID 102849331) is 2-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-6-methoxyphenol.
What is the SMILES notation for 2-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-6-methoxyphenol?
The canonical SMILES for 2-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-6-methoxyphenol is COc1cccc(CN2CCCC3(CCCNC3)C2)c1O.
What is the InChIKey of 2-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-6-methoxyphenol?
The InChIKey is SVXZRDIBFLVJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-21-15-6-2-5-14(16(15)20)11-19-10-4-8-17(13-19)7-3-9-18-12-17/h2,5-6,18,20H,3-4,7-13H2,1H3.
What are the key properties of 2-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-6-methoxyphenol?
2-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-6-methoxyphenol has a molecular weight of 290.41 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-6-methoxyphenol is sourced from PubChem (CID 102849331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).