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

C20H30FN3O — CID 135332712

IUPAC8-[2-(3-fluoro-2-pyridinyl)ethyl]-12-propan-2-yl-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane
SMILESCC(C)N1CC2(CCN(CCc3ncccc3F)CC2)OC2(CC2)C1
InChIInChI=1S/C20H30FN3O/c1-16(2)24-14-19(6-7-19)25-20(15-24)8-12-23(13-9-20)11-5-18-17(21)4-3-10-22-18/h3-4,10,16H,5-9,11-15H2,1-2H3
InChIKeyVNBTXZBMXDJZLO-UHFFFAOYSA-N
MW347.48 g/mol
LogP2.87
Rot. Bonds4

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

8-[2-(3-fluoro-2-pyridinyl)ethyl]-12-propan-2-yl-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane (PubChem CID 135332712) has the molecular formula C20H30FN3O and a molecular weight of 347.48 g/mol. Its IUPAC name is 8-[2-(3-fluoro-2-pyridinyl)ethyl]-12-propan-2-yl-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane.

Molecular Properties

Compound Name8-[2-(3-fluoro-2-pyridinyl)ethyl]-12-propan-2-yl-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane
PubChem CID135332712
Molecular FormulaC20H30FN3O
Molecular Weight347.48 g/mol
Exact Mass347.24
IUPAC Name8-[2-(3-fluoro-2-pyridinyl)ethyl]-12-propan-2-yl-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane
SMILESCC(C)N1CC2(CCN(CCc3ncccc3F)CC2)OC2(CC2)C1
InChIInChI=1S/C20H30FN3O/c1-16(2)24-14-19(6-7-19)25-20(15-24)8-12-23(13-9-20)11-5-18-17(21)4-3-10-22-18/h3-4,10,16H,5-9,11-15H2,1-2H3
InChIKeyVNBTXZBMXDJZLO-UHFFFAOYSA-N
XLogP2.87
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(3-fluoro-2-pyridinyl)ethyl]-12-propan-2-yl-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane?
The IUPAC name of 8-[2-(3-fluoro-2-pyridinyl)ethyl]-12-propan-2-yl-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane (CID 135332712) is 8-[2-(3-fluoro-2-pyridinyl)ethyl]-12-propan-2-yl-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane.
What is the SMILES notation for 8-[2-(3-fluoro-2-pyridinyl)ethyl]-12-propan-2-yl-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane?
The canonical SMILES for 8-[2-(3-fluoro-2-pyridinyl)ethyl]-12-propan-2-yl-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane is CC(C)N1CC2(CCN(CCc3ncccc3F)CC2)OC2(CC2)C1.
What is the InChIKey of 8-[2-(3-fluoro-2-pyridinyl)ethyl]-12-propan-2-yl-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane?
The InChIKey is VNBTXZBMXDJZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN3O/c1-16(2)24-14-19(6-7-19)25-20(15-24)8-12-23(13-9-20)11-5-18-17(21)4-3-10-22-18/h3-4,10,16H,5-9,11-15H2,1-2H3.
What are the key properties of 8-[2-(3-fluoro-2-pyridinyl)ethyl]-12-propan-2-yl-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane?
8-[2-(3-fluoro-2-pyridinyl)ethyl]-12-propan-2-yl-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane has a molecular weight of 347.48 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(3-fluoro-2-pyridinyl)ethyl]-12-propan-2-yl-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane is sourced from PubChem (CID 135332712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).