8-[(4-fluoro-2-methylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane

C15H20FNO2 — CID 113345090

IUPAC8-[(4-fluoro-2-methylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCc1cc(F)ccc1CN1CCC2(CC1)OCCO2
InChIInChI=1S/C15H20FNO2/c1-12-10-14(16)3-2-13(12)11-17-6-4-15(5-7-17)18-8-9-19-15/h2-3,10H,4-9,11H2,1H3
InChIKeyUOSJCXHUFUJPFY-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.47
Rot. Bonds2

About 8-[(4-fluoro-2-methylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[(4-fluoro-2-methylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 113345090) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 8-[(4-fluoro-2-methylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(4-fluoro-2-methylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID113345090
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name8-[(4-fluoro-2-methylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCc1cc(F)ccc1CN1CCC2(CC1)OCCO2
InChIInChI=1S/C15H20FNO2/c1-12-10-14(16)3-2-13(12)11-17-6-4-15(5-7-17)18-8-9-19-15/h2-3,10H,4-9,11H2,1H3
InChIKeyUOSJCXHUFUJPFY-UHFFFAOYSA-N
XLogP2.47
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

AJ-190/13485012
CID 899309
9-[(4-Fluoro-2-methylphenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane
CID 104013520
3-Methoxy-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 118743849
8-Benzyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 726449
1-Benzyl-4,4-dimethoxypiperidine
CID 563186
8-[4,4-Bis(4-fluorophenyl)butyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 69024312
8-[(2-Chloro-4-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 6465246
8-[(2-Chloro-6-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 6467194
4-(Oxolan-3-yloxy)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine
CID 71863110
8-(2,3-Difluoro-4-methylbenzyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 77094668
4-[(3S)-oxolan-3-yl]oxy-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine
CID 97014206
(3aS,7R,7aS)-5-benzyl-7-fluoro-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine
CID 9993032

Frequently Asked Questions

What is the IUPAC name of 8-[(4-fluoro-2-methylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[(4-fluoro-2-methylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 113345090) is 8-[(4-fluoro-2-methylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[(4-fluoro-2-methylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[(4-fluoro-2-methylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane is Cc1cc(F)ccc1CN1CCC2(CC1)OCCO2.
What is the InChIKey of 8-[(4-fluoro-2-methylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is UOSJCXHUFUJPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-12-10-14(16)3-2-13(12)11-17-6-4-15(5-7-17)18-8-9-19-15/h2-3,10H,4-9,11H2,1H3.
What are the key properties of 8-[(4-fluoro-2-methylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[(4-fluoro-2-methylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 265.33 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-fluoro-2-methylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 113345090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).