1-(3-bicyclo[3.2.1]octanyl)-4-fluoro-4-(5-fluoro-2-methoxyphenyl)piperidine

C20H27F2NO — CID 11667168

IUPAC1-(3-bicyclo[3.2.1]octanyl)-4-fluoro-4-(5-fluoro-2-methoxyphenyl)piperidine
SMILESCOc1ccc(F)cc1C1(F)CCN(C2CC3CCC(C3)C2)CC1
InChIInChI=1S/C20H27F2NO/c1-24-19-5-4-16(21)13-18(19)20(22)6-8-23(9-7-20)17-11-14-2-3-15(10-14)12-17/h4-5,13-15,17H,2-3,6-12H2,1H3
InChIKeyHSUMRNBBYLPLPZ-UHFFFAOYSA-N
MW335.44 g/mol
LogP4.67
Rot. Bonds3

About 1-(3-bicyclo[3.2.1]octanyl)-4-fluoro-4-(5-fluoro-2-methoxyphenyl)piperidine

1-(3-bicyclo[3.2.1]octanyl)-4-fluoro-4-(5-fluoro-2-methoxyphenyl)piperidine (PubChem CID 11667168) has the molecular formula C20H27F2NO and a molecular weight of 335.44 g/mol. Its IUPAC name is 1-(3-bicyclo[3.2.1]octanyl)-4-fluoro-4-(5-fluoro-2-methoxyphenyl)piperidine.

Molecular Properties

Compound Name1-(3-bicyclo[3.2.1]octanyl)-4-fluoro-4-(5-fluoro-2-methoxyphenyl)piperidine
PubChem CID11667168
Molecular FormulaC20H27F2NO
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Name1-(3-bicyclo[3.2.1]octanyl)-4-fluoro-4-(5-fluoro-2-methoxyphenyl)piperidine
SMILESCOc1ccc(F)cc1C1(F)CCN(C2CC3CCC(C3)C2)CC1
InChIInChI=1S/C20H27F2NO/c1-24-19-5-4-16(21)13-18(19)20(22)6-8-23(9-7-20)17-11-14-2-3-15(10-14)12-17/h4-5,13-15,17H,2-3,6-12H2,1H3
InChIKeyHSUMRNBBYLPLPZ-UHFFFAOYSA-N
XLogP4.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[3.2.1]octanyl)-4-fluoro-4-(5-fluoro-2-methoxyphenyl)piperidine?
The IUPAC name of 1-(3-bicyclo[3.2.1]octanyl)-4-fluoro-4-(5-fluoro-2-methoxyphenyl)piperidine (CID 11667168) is 1-(3-bicyclo[3.2.1]octanyl)-4-fluoro-4-(5-fluoro-2-methoxyphenyl)piperidine.
What is the SMILES notation for 1-(3-bicyclo[3.2.1]octanyl)-4-fluoro-4-(5-fluoro-2-methoxyphenyl)piperidine?
The canonical SMILES for 1-(3-bicyclo[3.2.1]octanyl)-4-fluoro-4-(5-fluoro-2-methoxyphenyl)piperidine is COc1ccc(F)cc1C1(F)CCN(C2CC3CCC(C3)C2)CC1.
What is the InChIKey of 1-(3-bicyclo[3.2.1]octanyl)-4-fluoro-4-(5-fluoro-2-methoxyphenyl)piperidine?
The InChIKey is HSUMRNBBYLPLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F2NO/c1-24-19-5-4-16(21)13-18(19)20(22)6-8-23(9-7-20)17-11-14-2-3-15(10-14)12-17/h4-5,13-15,17H,2-3,6-12H2,1H3.
What are the key properties of 1-(3-bicyclo[3.2.1]octanyl)-4-fluoro-4-(5-fluoro-2-methoxyphenyl)piperidine?
1-(3-bicyclo[3.2.1]octanyl)-4-fluoro-4-(5-fluoro-2-methoxyphenyl)piperidine has a molecular weight of 335.44 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bicyclo[3.2.1]octanyl)-4-fluoro-4-(5-fluoro-2-methoxyphenyl)piperidine is sourced from PubChem (CID 11667168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).