7-(5-fluoro-2-methoxyphenyl)-2-(2-methylpropyl)-7-azaspiro[3.5]nonane

C19H28FNO — CID 174251512

IUPAC7-(5-fluoro-2-methoxyphenyl)-2-(2-methylpropyl)-7-azaspiro[3.5]nonane
SMILESCOc1ccc(F)cc1N1CCC2(CC1)CC(CC(C)C)C2
InChIInChI=1S/C19H28FNO/c1-14(2)10-15-12-19(13-15)6-8-21(9-7-19)17-11-16(20)4-5-18(17)22-3/h4-5,11,14-15H,6-10,12-13H2,1-3H3
InChIKeyWTGCAHQAJYPOLH-UHFFFAOYSA-N
MW305.44 g/mol
LogP4.88
Rot. Bonds4

About 7-(5-fluoro-2-methoxyphenyl)-2-(2-methylpropyl)-7-azaspiro[3.5]nonane

7-(5-fluoro-2-methoxyphenyl)-2-(2-methylpropyl)-7-azaspiro[3.5]nonane (PubChem CID 174251512) has the molecular formula C19H28FNO and a molecular weight of 305.44 g/mol. Its IUPAC name is 7-(5-fluoro-2-methoxyphenyl)-2-(2-methylpropyl)-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-(5-fluoro-2-methoxyphenyl)-2-(2-methylpropyl)-7-azaspiro[3.5]nonane
PubChem CID174251512
Molecular FormulaC19H28FNO
Molecular Weight305.44 g/mol
Exact Mass305.22
IUPAC Name7-(5-fluoro-2-methoxyphenyl)-2-(2-methylpropyl)-7-azaspiro[3.5]nonane
SMILESCOc1ccc(F)cc1N1CCC2(CC1)CC(CC(C)C)C2
InChIInChI=1S/C19H28FNO/c1-14(2)10-15-12-19(13-15)6-8-21(9-7-19)17-11-16(20)4-5-18(17)22-3/h4-5,11,14-15H,6-10,12-13H2,1-3H3
InChIKeyWTGCAHQAJYPOLH-UHFFFAOYSA-N
XLogP4.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Methoxyphenyl)-4-propylpiperazine
CID 410747
Piperazine, 1-(2-methoxyphenyl)-4-(2-phenylethyl)-
CID 3826471
1-Butyl-4-(2-methoxy-phenyl)-piperazine
CID 10354670
1-Ethyl-4-(2-methoxyphenyl)piperazine
CID 10376185
1-(2-Methoxyphenyl)-4-pentylpiperazine
CID 10422832
1-(2-Methoxyphenyl)-4-(4-phenylbutyl)piperazine
CID 44276571
1-(2-Methoxyphenyl)-4-methylpiperazine
CID 9859120
1-[3-(3,4-Dihydro-naphthalen-1-yl)-propyl]-4-(2-methoxy-phenyl)-piperazine
CID 10316605
1-[4-(4-Fluoro-phenyl)-butyl]-4-(2-methoxy-phenyl)-piperazine
CID 10593421
1-(2-Methoxyphenyl)-4-(3-phenylpropyl)piperazine
CID 3829509
1-[2-(4-Fluoro-benzyloxy)-ethyl]-4-(2-methoxy-phenyl)-piperazine
CID 23276578
1-(2'-Fluorobiphenyl-2-ylmethyl)-4-(2-methoxyphenyl)piperazine
CID 71602687

Frequently Asked Questions

What is the IUPAC name of 7-(5-fluoro-2-methoxyphenyl)-2-(2-methylpropyl)-7-azaspiro[3.5]nonane?
The IUPAC name of 7-(5-fluoro-2-methoxyphenyl)-2-(2-methylpropyl)-7-azaspiro[3.5]nonane (CID 174251512) is 7-(5-fluoro-2-methoxyphenyl)-2-(2-methylpropyl)-7-azaspiro[3.5]nonane.
What is the SMILES notation for 7-(5-fluoro-2-methoxyphenyl)-2-(2-methylpropyl)-7-azaspiro[3.5]nonane?
The canonical SMILES for 7-(5-fluoro-2-methoxyphenyl)-2-(2-methylpropyl)-7-azaspiro[3.5]nonane is COc1ccc(F)cc1N1CCC2(CC1)CC(CC(C)C)C2.
What is the InChIKey of 7-(5-fluoro-2-methoxyphenyl)-2-(2-methylpropyl)-7-azaspiro[3.5]nonane?
The InChIKey is WTGCAHQAJYPOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FNO/c1-14(2)10-15-12-19(13-15)6-8-21(9-7-19)17-11-16(20)4-5-18(17)22-3/h4-5,11,14-15H,6-10,12-13H2,1-3H3.
What are the key properties of 7-(5-fluoro-2-methoxyphenyl)-2-(2-methylpropyl)-7-azaspiro[3.5]nonane?
7-(5-fluoro-2-methoxyphenyl)-2-(2-methylpropyl)-7-azaspiro[3.5]nonane has a molecular weight of 305.44 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-fluoro-2-methoxyphenyl)-2-(2-methylpropyl)-7-azaspiro[3.5]nonane is sourced from PubChem (CID 174251512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).