2-[3-(2,9-diazaspiro[5.5]undecan-9-ylmethyl)-5-fluorophenyl]ethanol

C18H27FN2O — CID 70665465

IUPAC2-[3-(2,9-diazaspiro[5.5]undecan-9-ylmethyl)-5-fluorophenyl]ethanol
SMILESOCCc1cc(F)cc(CN2CCC3(CCCNC3)CC2)c1
InChIInChI=1S/C18H27FN2O/c19-17-11-15(2-9-22)10-16(12-17)13-21-7-4-18(5-8-21)3-1-6-20-14-18/h10-12,20,22H,1-9,13-14H2
InChIKeyOIAOEFFXYVRWQO-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.33
Rot. Bonds4

About 2-[3-(2,9-diazaspiro[5.5]undecan-9-ylmethyl)-5-fluorophenyl]ethanol

2-[3-(2,9-diazaspiro[5.5]undecan-9-ylmethyl)-5-fluorophenyl]ethanol (PubChem CID 70665465) has the molecular formula C18H27FN2O and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-[3-(2,9-diazaspiro[5.5]undecan-9-ylmethyl)-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name2-[3-(2,9-diazaspiro[5.5]undecan-9-ylmethyl)-5-fluorophenyl]ethanol
PubChem CID70665465
Molecular FormulaC18H27FN2O
Molecular Weight306.43 g/mol
Exact Mass306.21
IUPAC Name2-[3-(2,9-diazaspiro[5.5]undecan-9-ylmethyl)-5-fluorophenyl]ethanol
SMILESOCCc1cc(F)cc(CN2CCC3(CCCNC3)CC2)c1
InChIInChI=1S/C18H27FN2O/c19-17-11-15(2-9-22)10-16(12-17)13-21-7-4-18(5-8-21)3-1-6-20-14-18/h10-12,20,22H,1-9,13-14H2
InChIKeyOIAOEFFXYVRWQO-UHFFFAOYSA-N
XLogP2.33
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,9-diazaspiro[5.5]undecan-9-ylmethyl)-5-fluorophenyl]ethanol?
The IUPAC name of 2-[3-(2,9-diazaspiro[5.5]undecan-9-ylmethyl)-5-fluorophenyl]ethanol (CID 70665465) is 2-[3-(2,9-diazaspiro[5.5]undecan-9-ylmethyl)-5-fluorophenyl]ethanol.
What is the SMILES notation for 2-[3-(2,9-diazaspiro[5.5]undecan-9-ylmethyl)-5-fluorophenyl]ethanol?
The canonical SMILES for 2-[3-(2,9-diazaspiro[5.5]undecan-9-ylmethyl)-5-fluorophenyl]ethanol is OCCc1cc(F)cc(CN2CCC3(CCCNC3)CC2)c1.
What is the InChIKey of 2-[3-(2,9-diazaspiro[5.5]undecan-9-ylmethyl)-5-fluorophenyl]ethanol?
The InChIKey is OIAOEFFXYVRWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O/c19-17-11-15(2-9-22)10-16(12-17)13-21-7-4-18(5-8-21)3-1-6-20-14-18/h10-12,20,22H,1-9,13-14H2.
What are the key properties of 2-[3-(2,9-diazaspiro[5.5]undecan-9-ylmethyl)-5-fluorophenyl]ethanol?
2-[3-(2,9-diazaspiro[5.5]undecan-9-ylmethyl)-5-fluorophenyl]ethanol has a molecular weight of 306.43 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,9-diazaspiro[5.5]undecan-9-ylmethyl)-5-fluorophenyl]ethanol is sourced from PubChem (CID 70665465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).