8-[(4-fluorophenyl)methyl]-3-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

C15H19FN2O — CID 134793096

IUPAC8-[(4-fluorophenyl)methyl]-3-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESCC1=NOC2(CCN(Cc3ccc(F)cc3)CC2)C1
InChIInChI=1S/C15H19FN2O/c1-12-10-15(19-17-12)6-8-18(9-7-15)11-13-2-4-14(16)5-3-13/h2-5H,6-11H2,1H3
InChIKeyBRBBWPBOEZCQBP-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.96
Rot. Bonds2

About 8-[(4-fluorophenyl)methyl]-3-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

8-[(4-fluorophenyl)methyl]-3-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (PubChem CID 134793096) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 8-[(4-fluorophenyl)methyl]-3-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name8-[(4-fluorophenyl)methyl]-3-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
PubChem CID134793096
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name8-[(4-fluorophenyl)methyl]-3-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESCC1=NOC2(CCN(Cc3ccc(F)cc3)CC2)C1
InChIInChI=1S/C15H19FN2O/c1-12-10-15(19-17-12)6-8-18(9-7-15)11-13-2-4-14(16)5-3-13/h2-5H,6-11H2,1H3
InChIKeyBRBBWPBOEZCQBP-UHFFFAOYSA-N
XLogP2.96
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-[(4-fluorophenyl)methyl]-3-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[(4-fluorophenyl)methyl]-3-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The IUPAC name of 8-[(4-fluorophenyl)methyl]-3-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (CID 134793096) is 8-[(4-fluorophenyl)methyl]-3-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.
What is the SMILES notation for 8-[(4-fluorophenyl)methyl]-3-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The canonical SMILES for 8-[(4-fluorophenyl)methyl]-3-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is CC1=NOC2(CCN(Cc3ccc(F)cc3)CC2)C1.
What is the InChIKey of 8-[(4-fluorophenyl)methyl]-3-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The InChIKey is BRBBWPBOEZCQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-12-10-15(19-17-12)6-8-18(9-7-15)11-13-2-4-14(16)5-3-13/h2-5H,6-11H2,1H3.
What are the key properties of 8-[(4-fluorophenyl)methyl]-3-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
8-[(4-fluorophenyl)methyl]-3-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene has a molecular weight of 262.33 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-fluorophenyl)methyl]-3-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 134793096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).