9-[(4-fluorophenyl)methyl]-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane

C20H24FN3O — CID 97450933

IUPAC9-[(4-fluorophenyl)methyl]-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESFc1ccc(CN2CCC3(CC2)CN(c2ccccn2)CCO3)cc1
InChIInChI=1S/C20H24FN3O/c21-18-6-4-17(5-7-18)15-23-11-8-20(9-12-23)16-24(13-14-25-20)19-3-1-2-10-22-19/h1-7,10H,8-9,11-16H2
InChIKeyBOIGALFUYUAYER-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.09
Rot. Bonds3

About 9-[(4-fluorophenyl)methyl]-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane

9-[(4-fluorophenyl)methyl]-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 97450933) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is 9-[(4-fluorophenyl)methyl]-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-[(4-fluorophenyl)methyl]-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID97450933
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name9-[(4-fluorophenyl)methyl]-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESFc1ccc(CN2CCC3(CC2)CN(c2ccccn2)CCO3)cc1
InChIInChI=1S/C20H24FN3O/c21-18-6-4-17(5-7-18)15-23-11-8-20(9-12-23)16-24(13-14-25-20)19-3-1-2-10-22-19/h1-7,10H,8-9,11-16H2
InChIKeyBOIGALFUYUAYER-UHFFFAOYSA-N
XLogP3.09
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[(4-fluorophenyl)methyl]-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-[(4-fluorophenyl)methyl]-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane (CID 97450933) is 9-[(4-fluorophenyl)methyl]-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-[(4-fluorophenyl)methyl]-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-[(4-fluorophenyl)methyl]-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane is Fc1ccc(CN2CCC3(CC2)CN(c2ccccn2)CCO3)cc1.
What is the InChIKey of 9-[(4-fluorophenyl)methyl]-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is BOIGALFUYUAYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c21-18-6-4-17(5-7-18)15-23-11-8-20(9-12-23)16-24(13-14-25-20)19-3-1-2-10-22-19/h1-7,10H,8-9,11-16H2.
What are the key properties of 9-[(4-fluorophenyl)methyl]-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
9-[(4-fluorophenyl)methyl]-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 341.43 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-fluorophenyl)methyl]-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97450933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).