2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-5-methylphenol

C16H24N2O — CID 56702307

IUPAC2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-5-methylphenol
SMILESCc1ccc(CN2CCC3(CCNCC3)C2)c(O)c1
InChIInChI=1S/C16H24N2O/c1-13-2-3-14(15(19)10-13)11-18-9-6-16(12-18)4-7-17-8-5-16/h2-3,10,17,19H,4-9,11-12H2,1H3
InChIKeyLYXDJVKSKHUWPP-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.28
Rot. Bonds2

About 2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-5-methylphenol

2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-5-methylphenol (PubChem CID 56702307) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-5-methylphenol.

Molecular Properties

Compound Name2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-5-methylphenol
PubChem CID56702307
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-5-methylphenol
SMILESCc1ccc(CN2CCC3(CCNCC3)C2)c(O)c1
InChIInChI=1S/C16H24N2O/c1-13-2-3-14(15(19)10-13)11-18-9-6-16(12-18)4-7-17-8-5-16/h2-3,10,17,19H,4-9,11-12H2,1H3
InChIKeyLYXDJVKSKHUWPP-UHFFFAOYSA-N
XLogP2.28
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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[4.5]decan-2-ylmethyl)-5-methylphenol?
The IUPAC name of 2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-5-methylphenol (CID 56702307) is 2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-5-methylphenol.
What is the SMILES notation for 2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-5-methylphenol?
The canonical SMILES for 2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-5-methylphenol is Cc1ccc(CN2CCC3(CCNCC3)C2)c(O)c1.
What is the InChIKey of 2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-5-methylphenol?
The InChIKey is LYXDJVKSKHUWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13-2-3-14(15(19)10-13)11-18-9-6-16(12-18)4-7-17-8-5-16/h2-3,10,17,19H,4-9,11-12H2,1H3.
What are the key properties of 2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-5-methylphenol?
2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-5-methylphenol has a molecular weight of 260.38 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-5-methylphenol is sourced from PubChem (CID 56702307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).