1-(2-bicyclo[2.2.2]octanylmethyl)-4-(5-fluoro-2-methoxyphenyl)piperidine

C21H30FNO — CID 11709724

IUPAC1-(2-bicyclo[2.2.2]octanylmethyl)-4-(5-fluoro-2-methoxyphenyl)piperidine
SMILESCOc1ccc(F)cc1C1CCN(CC2CC3CCC2CC3)CC1
InChIInChI=1S/C21H30FNO/c1-24-21-7-6-19(22)13-20(21)17-8-10-23(11-9-17)14-18-12-15-2-4-16(18)5-3-15/h6-7,13,15-18H,2-5,8-12,14H2,1H3
InChIKeyKAEYOBJZPYYDPR-UHFFFAOYSA-N
MW331.47 g/mol
LogP4.84
Rot. Bonds4

About 1-(2-bicyclo[2.2.2]octanylmethyl)-4-(5-fluoro-2-methoxyphenyl)piperidine

1-(2-bicyclo[2.2.2]octanylmethyl)-4-(5-fluoro-2-methoxyphenyl)piperidine (PubChem CID 11709724) has the molecular formula C21H30FNO and a molecular weight of 331.47 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.2]octanylmethyl)-4-(5-fluoro-2-methoxyphenyl)piperidine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.2]octanylmethyl)-4-(5-fluoro-2-methoxyphenyl)piperidine
PubChem CID11709724
Molecular FormulaC21H30FNO
Molecular Weight331.47 g/mol
Exact Mass331.23
IUPAC Name1-(2-bicyclo[2.2.2]octanylmethyl)-4-(5-fluoro-2-methoxyphenyl)piperidine
SMILESCOc1ccc(F)cc1C1CCN(CC2CC3CCC2CC3)CC1
InChIInChI=1S/C21H30FNO/c1-24-21-7-6-19(22)13-20(21)17-8-10-23(11-9-17)14-18-12-15-2-4-16(18)5-3-15/h6-7,13,15-18H,2-5,8-12,14H2,1H3
InChIKeyKAEYOBJZPYYDPR-UHFFFAOYSA-N
XLogP4.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.47
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.2]octanylmethyl)-4-(5-fluoro-2-methoxyphenyl)piperidine?
The IUPAC name of 1-(2-bicyclo[2.2.2]octanylmethyl)-4-(5-fluoro-2-methoxyphenyl)piperidine (CID 11709724) is 1-(2-bicyclo[2.2.2]octanylmethyl)-4-(5-fluoro-2-methoxyphenyl)piperidine.
What is the SMILES notation for 1-(2-bicyclo[2.2.2]octanylmethyl)-4-(5-fluoro-2-methoxyphenyl)piperidine?
The canonical SMILES for 1-(2-bicyclo[2.2.2]octanylmethyl)-4-(5-fluoro-2-methoxyphenyl)piperidine is COc1ccc(F)cc1C1CCN(CC2CC3CCC2CC3)CC1.
What is the InChIKey of 1-(2-bicyclo[2.2.2]octanylmethyl)-4-(5-fluoro-2-methoxyphenyl)piperidine?
The InChIKey is KAEYOBJZPYYDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FNO/c1-24-21-7-6-19(22)13-20(21)17-8-10-23(11-9-17)14-18-12-15-2-4-16(18)5-3-15/h6-7,13,15-18H,2-5,8-12,14H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.2]octanylmethyl)-4-(5-fluoro-2-methoxyphenyl)piperidine?
1-(2-bicyclo[2.2.2]octanylmethyl)-4-(5-fluoro-2-methoxyphenyl)piperidine has a molecular weight of 331.47 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.2]octanylmethyl)-4-(5-fluoro-2-methoxyphenyl)piperidine is sourced from PubChem (CID 11709724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).