12-ethyl-8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane

C19H28FN3O — CID 135374763

IUPAC12-ethyl-8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane
SMILESCCN1CC2(CCN(CCc3ncccc3F)CC2)OC2(CC2)C1
InChIInChI=1S/C19H28FN3O/c1-2-22-14-18(6-7-18)24-19(15-22)8-12-23(13-9-19)11-5-17-16(20)4-3-10-21-17/h3-4,10H,2,5-9,11-15H2,1H3
InChIKeyZLLCVCNTDXZDQS-UHFFFAOYSA-N
MW333.45 g/mol
LogP2.48
Rot. Bonds4

About 12-ethyl-8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane

12-ethyl-8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane (PubChem CID 135374763) has the molecular formula C19H28FN3O and a molecular weight of 333.45 g/mol. Its IUPAC name is 12-ethyl-8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane.

Molecular Properties

Compound Name12-ethyl-8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane
PubChem CID135374763
Molecular FormulaC19H28FN3O
Molecular Weight333.45 g/mol
Exact Mass333.22
IUPAC Name12-ethyl-8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane
SMILESCCN1CC2(CCN(CCc3ncccc3F)CC2)OC2(CC2)C1
InChIInChI=1S/C19H28FN3O/c1-2-22-14-18(6-7-18)24-19(15-22)8-12-23(13-9-19)11-5-17-16(20)4-3-10-21-17/h3-4,10H,2,5-9,11-15H2,1H3
InChIKeyZLLCVCNTDXZDQS-UHFFFAOYSA-N
XLogP2.48
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 12-ethyl-8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane with MolForge

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Related Compounds

4-(2-(2-Pyridyl)ethyl)morpholine
CID 95909
12-Ethyl-8-(2-pyridin-2-ylethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one
CID 118560889
4-[3-(2-Pyridin-2-ylethynyl)cyclohex-2-en-1-yl]morpholine
CID 71454503
4-[[5-(Morpholin-4-ylmethyl)-2-pyridinyl]methyl]morpholine
CID 127044647
US10858373, Example 16
CID 135238514
US10858373, Example 21
CID 135251276
US10927128, Example 36
CID 135332712
US10927128, Example 108
CID 135374672
US10927128, Example 39
CID 135374676
US10927128, Example 42
CID 135374706
US10927128, Example 37
CID 135374711
US10927128, Example 104
CID 135374718

Frequently Asked Questions

What is the IUPAC name of 12-ethyl-8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane?
The IUPAC name of 12-ethyl-8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane (CID 135374763) is 12-ethyl-8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane.
What is the SMILES notation for 12-ethyl-8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane?
The canonical SMILES for 12-ethyl-8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane is CCN1CC2(CCN(CCc3ncccc3F)CC2)OC2(CC2)C1.
What is the InChIKey of 12-ethyl-8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane?
The InChIKey is ZLLCVCNTDXZDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O/c1-2-22-14-18(6-7-18)24-19(15-22)8-12-23(13-9-19)11-5-17-16(20)4-3-10-21-17/h3-4,10H,2,5-9,11-15H2,1H3.
What are the key properties of 12-ethyl-8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane?
12-ethyl-8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane has a molecular weight of 333.45 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-ethyl-8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane is sourced from PubChem (CID 135374763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).