4-[(3-fluorophenyl)methyl]-9-(oxolan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane

C20H29FN2O2 — CID 134077464

IUPAC4-[(3-fluorophenyl)methyl]-9-(oxolan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESFc1cccc(CN2CCOC3(CCN(CC4CCOC4)CC3)C2)c1
InChIInChI=1S/C20H29FN2O2/c21-19-3-1-2-17(12-19)13-23-9-11-25-20(16-23)5-7-22(8-6-20)14-18-4-10-24-15-18/h1-3,12,18H,4-11,13-16H2
InChIKeyOBWPPIPEPYCVLE-UHFFFAOYSA-N
MW348.46 g/mol
LogP2.53
Rot. Bonds4

About 4-[(3-fluorophenyl)methyl]-9-(oxolan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane

4-[(3-fluorophenyl)methyl]-9-(oxolan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 134077464) has the molecular formula C20H29FN2O2 and a molecular weight of 348.46 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methyl]-9-(oxolan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methyl]-9-(oxolan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID134077464
Molecular FormulaC20H29FN2O2
Molecular Weight348.46 g/mol
Exact Mass348.22
IUPAC Name4-[(3-fluorophenyl)methyl]-9-(oxolan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESFc1cccc(CN2CCOC3(CCN(CC4CCOC4)CC3)C2)c1
InChIInChI=1S/C20H29FN2O2/c21-19-3-1-2-17(12-19)13-23-9-11-25-20(16-23)5-7-22(8-6-20)14-18-4-10-24-15-18/h1-3,12,18H,4-11,13-16H2
InChIKeyOBWPPIPEPYCVLE-UHFFFAOYSA-N
XLogP2.53
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,4'-[1,4-Phenylenebis(methylene)]dimorpholine
CID 250932
4-(2-Fluorobenzyl)morpholine
CID 783642
4-(3-Fluorobenzyl)morpholine
CID 783756
US10858373, Example 17
CID 135251270
4-(4-Fluorobenzyl)morpholine
CID 783657
US10421750, Example 27
CID 129053741
US10421750, Example 29
CID 129053743
US10421750, Example 30
CID 129053771
US10421750, Example 28
CID 129053831
US10421750, Example 14
CID 129053742
2-(1-Benzylpiperidin-4-yl)-4-ethylmorpholine
CID 129053792
US10689398, Example 80
CID 129069870

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methyl]-9-(oxolan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 4-[(3-fluorophenyl)methyl]-9-(oxolan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane (CID 134077464) is 4-[(3-fluorophenyl)methyl]-9-(oxolan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-[(3-fluorophenyl)methyl]-9-(oxolan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 4-[(3-fluorophenyl)methyl]-9-(oxolan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane is Fc1cccc(CN2CCOC3(CCN(CC4CCOC4)CC3)C2)c1.
What is the InChIKey of 4-[(3-fluorophenyl)methyl]-9-(oxolan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is OBWPPIPEPYCVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O2/c21-19-3-1-2-17(12-19)13-23-9-11-25-20(16-23)5-7-22(8-6-20)14-18-4-10-24-15-18/h1-3,12,18H,4-11,13-16H2.
What are the key properties of 4-[(3-fluorophenyl)methyl]-9-(oxolan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
4-[(3-fluorophenyl)methyl]-9-(oxolan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 348.46 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methyl]-9-(oxolan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 134077464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).