9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane

C19H30FN3O — CID 135374678

About 9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane

9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 135374678) has the molecular formula C19H30FN3O and a molecular weight of 335.47 g/mol. Its IUPAC name is 9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

• Compound Name: 9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
• PubChem CID: 135374678
• Molecular Formula: C19H30FN3O
• Molecular Weight: 335.47 g/mol
• Exact Mass: 335.24
• IUPAC Name: 9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
• SMILES: CC1CN(C(C)C)CC2(CCN(CCc3ncccc3F)CC2)O1
• InChI: InChI=1S/C19H30FN3O/c1-15(2)23-13-16(3)24-19(14-23)7-11-22(12-8-19)10-6-18-17(20)5-4-9-21-18/h4-5,9,15-16H,6-8,10-14H2,1-3H3
• InChIKey: WQCJCAKEZOWSDE-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 28.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	335.47
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?

The IUPAC name of 9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane (CID 135374678) is 9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane.

What is the SMILES notation for 9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?

The canonical SMILES for 9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane is CC1CN(C(C)C)CC2(CCN(CCc3ncccc3F)CC2)O1.

What is the InChIKey of 9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?

The InChIKey is WQCJCAKEZOWSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN3O/c1-15(2)23-13-16(3)24-19(14-23)7-11-22(12-8-19)10-6-18-17(20)5-4-9-21-18/h4-5,9,15-16H,6-8,10-14H2,1-3H3.

What are the key properties of 9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?

9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 335.47 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 135374678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).