2-(8-azaspiro[4.5]decan-8-ylmethyl)phenol

C16H23NO — CID 82979925

IUPAC2-(8-azaspiro[4.5]decan-8-ylmethyl)phenol
SMILESOc1ccccc1CN1CCC2(CCCC2)CC1
InChIInChI=1S/C16H23NO/c18-15-6-2-1-5-14(15)13-17-11-9-16(10-12-17)7-3-4-8-16/h1-2,5-6,18H,3-4,7-13H2
InChIKeyWMBVQWCYUCHCON-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.55
Rot. Bonds2

About 2-(8-azaspiro[4.5]decan-8-ylmethyl)phenol

2-(8-azaspiro[4.5]decan-8-ylmethyl)phenol (PubChem CID 82979925) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-(8-azaspiro[4.5]decan-8-ylmethyl)phenol.

Molecular Properties

Compound Name2-(8-azaspiro[4.5]decan-8-ylmethyl)phenol
PubChem CID82979925
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-(8-azaspiro[4.5]decan-8-ylmethyl)phenol
SMILESOc1ccccc1CN1CCC2(CCCC2)CC1
InChIInChI=1S/C16H23NO/c18-15-6-2-1-5-14(15)13-17-11-9-16(10-12-17)7-3-4-8-16/h1-2,5-6,18H,3-4,7-13H2
InChIKeyWMBVQWCYUCHCON-UHFFFAOYSA-N
XLogP3.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(8-azaspiro[4.5]decan-8-ylmethyl)phenol?
The IUPAC name of 2-(8-azaspiro[4.5]decan-8-ylmethyl)phenol (CID 82979925) is 2-(8-azaspiro[4.5]decan-8-ylmethyl)phenol.
What is the SMILES notation for 2-(8-azaspiro[4.5]decan-8-ylmethyl)phenol?
The canonical SMILES for 2-(8-azaspiro[4.5]decan-8-ylmethyl)phenol is Oc1ccccc1CN1CCC2(CCCC2)CC1.
What is the InChIKey of 2-(8-azaspiro[4.5]decan-8-ylmethyl)phenol?
The InChIKey is WMBVQWCYUCHCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c18-15-6-2-1-5-14(15)13-17-11-9-16(10-12-17)7-3-4-8-16/h1-2,5-6,18H,3-4,7-13H2.
What are the key properties of 2-(8-azaspiro[4.5]decan-8-ylmethyl)phenol?
2-(8-azaspiro[4.5]decan-8-ylmethyl)phenol has a molecular weight of 245.37 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azaspiro[4.5]decan-8-ylmethyl)phenol is sourced from PubChem (CID 82979925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).