9-[(2-fluoro-4-methoxyphenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane

C15H20FNO3 — CID 102876803

IUPAC9-[(2-fluoro-4-methoxyphenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane
SMILESCOc1ccc(CN2CCCC3(C2)OCCO3)c(F)c1
InChIInChI=1S/C15H20FNO3/c1-18-13-4-3-12(14(16)9-13)10-17-6-2-5-15(11-17)19-7-8-20-15/h3-4,9H,2,5-8,10-11H2,1H3
InChIKeyKGJDULXPYORPRS-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.17
Rot. Bonds3

About 9-[(2-fluoro-4-methoxyphenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane

9-[(2-fluoro-4-methoxyphenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane (PubChem CID 102876803) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 9-[(2-fluoro-4-methoxyphenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-[(2-fluoro-4-methoxyphenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane
PubChem CID102876803
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name9-[(2-fluoro-4-methoxyphenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane
SMILESCOc1ccc(CN2CCCC3(C2)OCCO3)c(F)c1
InChIInChI=1S/C15H20FNO3/c1-18-13-4-3-12(14(16)9-13)10-17-6-2-5-15(11-17)19-7-8-20-15/h3-4,9H,2,5-8,10-11H2,1H3
InChIKeyKGJDULXPYORPRS-UHFFFAOYSA-N
XLogP2.17
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 102877482
[(3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 97116898
[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 114082076
1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylazetidin-3-amine
CID 102879115
9-[(3,5-difluorophenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane
CID 75500696
3-amino-1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107324895
4-[(2-fluoro-4-methoxyphenyl)methyl]morpholine-2-carbonitrile
CID 102876748
1'-[(2-fluoro-4-methoxyphenyl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
CID 164688851
3-[4-[(2-fluoro-4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]propan-1-amine
CID 102876137
1-[(2-fluoro-5-methoxyphenyl)methyl]piperidine
CID 22372485
4-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methoxyethyl)morpholine
CID 74247681
10-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
CID 131678902

Frequently Asked Questions

What is the IUPAC name of 9-[(2-fluoro-4-methoxyphenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-[(2-fluoro-4-methoxyphenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane (CID 102876803) is 9-[(2-fluoro-4-methoxyphenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-[(2-fluoro-4-methoxyphenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-[(2-fluoro-4-methoxyphenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane is COc1ccc(CN2CCCC3(C2)OCCO3)c(F)c1.
What is the InChIKey of 9-[(2-fluoro-4-methoxyphenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane?
The InChIKey is KGJDULXPYORPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-18-13-4-3-12(14(16)9-13)10-17-6-2-5-15(11-17)19-7-8-20-15/h3-4,9H,2,5-8,10-11H2,1H3.
What are the key properties of 9-[(2-fluoro-4-methoxyphenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane?
9-[(2-fluoro-4-methoxyphenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane has a molecular weight of 281.33 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-fluoro-4-methoxyphenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 102876803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).