[3-[2-(4-fluorophenyl)ethyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol

C17H22FNO2 — CID 70095619

IUPAC[3-[2-(4-fluorophenyl)ethyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol
SMILESOCC1C2CCC3(CN(CCc4ccc(F)cc4)CC13)O2
InChIInChI=1S/C17H22FNO2/c18-13-3-1-12(2-4-13)6-8-19-9-15-14(10-20)16-5-7-17(15,11-19)21-16/h1-4,14-16,20H,5-11H2
InChIKeyALRBZKQFQYSRJC-UHFFFAOYSA-N
MW291.37 g/mol
LogP1.84
Rot. Bonds4

About [3-[2-(4-fluorophenyl)ethyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol

[3-[2-(4-fluorophenyl)ethyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol (PubChem CID 70095619) has the molecular formula C17H22FNO2 and a molecular weight of 291.37 g/mol. Its IUPAC name is [3-[2-(4-fluorophenyl)ethyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol.

Molecular Properties

Compound Name[3-[2-(4-fluorophenyl)ethyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol
PubChem CID70095619
Molecular FormulaC17H22FNO2
Molecular Weight291.37 g/mol
Exact Mass291.16
IUPAC Name[3-[2-(4-fluorophenyl)ethyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol
SMILESOCC1C2CCC3(CN(CCc4ccc(F)cc4)CC13)O2
InChIInChI=1S/C17H22FNO2/c18-13-3-1-12(2-4-13)6-8-19-9-15-14(10-20)16-5-7-17(15,11-19)21-16/h1-4,14-16,20H,5-11H2
InChIKeyALRBZKQFQYSRJC-UHFFFAOYSA-N
XLogP1.84
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(4-fluorophenyl)ethyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol?
The IUPAC name of [3-[2-(4-fluorophenyl)ethyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol (CID 70095619) is [3-[2-(4-fluorophenyl)ethyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol.
What is the SMILES notation for [3-[2-(4-fluorophenyl)ethyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol?
The canonical SMILES for [3-[2-(4-fluorophenyl)ethyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol is OCC1C2CCC3(CN(CCc4ccc(F)cc4)CC13)O2.
What is the InChIKey of [3-[2-(4-fluorophenyl)ethyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol?
The InChIKey is ALRBZKQFQYSRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO2/c18-13-3-1-12(2-4-13)6-8-19-9-15-14(10-20)16-5-7-17(15,11-19)21-16/h1-4,14-16,20H,5-11H2.
What are the key properties of [3-[2-(4-fluorophenyl)ethyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol?
[3-[2-(4-fluorophenyl)ethyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol has a molecular weight of 291.37 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(4-fluorophenyl)ethyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol is sourced from PubChem (CID 70095619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).