3-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol

C14H18FNO — CID 54595081

IUPAC3-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(Cc2ccc(F)cc2)CC2CCC(C1)N2
InChIInChI=1S/C14H18FNO/c15-11-3-1-10(2-4-11)7-14(17)8-12-5-6-13(9-14)16-12/h1-4,12-13,16-17H,5-9H2
InChIKeyZZBOPCGBGVIXQO-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.01
Rot. Bonds2

About 3-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol

3-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 54595081) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID54595081
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name3-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(Cc2ccc(F)cc2)CC2CCC(C1)N2
InChIInChI=1S/C14H18FNO/c15-11-3-1-10(2-4-11)7-14(17)8-12-5-6-13(9-14)16-12/h1-4,12-13,16-17H,5-9H2
InChIKeyZZBOPCGBGVIXQO-UHFFFAOYSA-N
XLogP2.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 54595081) is 3-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is OC1(Cc2ccc(F)cc2)CC2CCC(C1)N2.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is ZZBOPCGBGVIXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c15-11-3-1-10(2-4-11)7-14(17)8-12-5-6-13(9-14)16-12/h1-4,12-13,16-17H,5-9H2.
What are the key properties of 3-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
3-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 235.30 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 54595081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).