2-(4-phenyl-1,5-diazaspiro[5.5]undec-4-en-2-yl)phenol

C21H24N2O — CID 3146314

IUPAC2-(4-phenyl-1,5-diazaspiro[5.5]undec-4-en-2-yl)phenol
SMILESOc1ccccc1C1CC(c2ccccc2)=NC2(CCCCC2)N1
InChIInChI=1S/C21H24N2O/c24-20-12-6-5-11-17(20)19-15-18(16-9-3-1-4-10-16)22-21(23-19)13-7-2-8-14-21/h1,3-6,9-12,19,23-24H,2,7-8,13-15H2
InChIKeyBSEDTMQUMOPCLF-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.58
Rot. Bonds2

About 2-(4-phenyl-1,5-diazaspiro[5.5]undec-4-en-2-yl)phenol

2-(4-phenyl-1,5-diazaspiro[5.5]undec-4-en-2-yl)phenol (PubChem CID 3146314) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-(4-phenyl-1,5-diazaspiro[5.5]undec-4-en-2-yl)phenol.

Molecular Properties

Compound Name2-(4-phenyl-1,5-diazaspiro[5.5]undec-4-en-2-yl)phenol
PubChem CID3146314
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name2-(4-phenyl-1,5-diazaspiro[5.5]undec-4-en-2-yl)phenol
SMILESOc1ccccc1C1CC(c2ccccc2)=NC2(CCCCC2)N1
InChIInChI=1S/C21H24N2O/c24-20-12-6-5-11-17(20)19-15-18(16-9-3-1-4-10-16)22-21(23-19)13-7-2-8-14-21/h1,3-6,9-12,19,23-24H,2,7-8,13-15H2
InChIKeyBSEDTMQUMOPCLF-UHFFFAOYSA-N
XLogP4.58
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.58
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-(4-phenyl-1,5-diazaspiro[5.5]undec-4-en-2-yl)phenol?
The IUPAC name of 2-(4-phenyl-1,5-diazaspiro[5.5]undec-4-en-2-yl)phenol (CID 3146314) is 2-(4-phenyl-1,5-diazaspiro[5.5]undec-4-en-2-yl)phenol.
What is the SMILES notation for 2-(4-phenyl-1,5-diazaspiro[5.5]undec-4-en-2-yl)phenol?
The canonical SMILES for 2-(4-phenyl-1,5-diazaspiro[5.5]undec-4-en-2-yl)phenol is Oc1ccccc1C1CC(c2ccccc2)=NC2(CCCCC2)N1.
What is the InChIKey of 2-(4-phenyl-1,5-diazaspiro[5.5]undec-4-en-2-yl)phenol?
The InChIKey is BSEDTMQUMOPCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c24-20-12-6-5-11-17(20)19-15-18(16-9-3-1-4-10-16)22-21(23-19)13-7-2-8-14-21/h1,3-6,9-12,19,23-24H,2,7-8,13-15H2.
What are the key properties of 2-(4-phenyl-1,5-diazaspiro[5.5]undec-4-en-2-yl)phenol?
2-(4-phenyl-1,5-diazaspiro[5.5]undec-4-en-2-yl)phenol has a molecular weight of 320.44 g/mol, XLogP of 4.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenyl-1,5-diazaspiro[5.5]undec-4-en-2-yl)phenol is sourced from PubChem (CID 3146314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).