11-[4-[2-(2-fluoroethoxy)ethoxy]piperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C20H25FN4O2 — CID 118262766

IUPAC11-[4-[2-(2-fluoroethoxy)ethoxy]piperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCn1c2ccncc2c2ccc(N3CCC(OCCOCCF)CC3)nc21
InChIInChI=1S/C20H25FN4O2/c1-24-18-4-8-22-14-17(18)16-2-3-19(23-20(16)24)25-9-5-15(6-10-25)27-13-12-26-11-7-21/h2-4,8,14-15H,5-7,9-13H2,1H3
InChIKeyJUGOQEPWZPIPNI-UHFFFAOYSA-N
MW372.44 g/mol
LogP3.09
Rot. Bonds7

About 11-[4-[2-(2-fluoroethoxy)ethoxy]piperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

11-[4-[2-(2-fluoroethoxy)ethoxy]piperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 118262766) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is 11-[4-[2-(2-fluoroethoxy)ethoxy]piperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name11-[4-[2-(2-fluoroethoxy)ethoxy]piperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID118262766
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC Name11-[4-[2-(2-fluoroethoxy)ethoxy]piperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCn1c2ccncc2c2ccc(N3CCC(OCCOCCF)CC3)nc21
InChIInChI=1S/C20H25FN4O2/c1-24-18-4-8-22-14-17(18)16-2-3-19(23-20(16)24)25-9-5-15(6-10-25)27-13-12-26-11-7-21/h2-4,8,14-15H,5-7,9-13H2,1H3
InChIKeyJUGOQEPWZPIPNI-UHFFFAOYSA-N
XLogP3.09
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 11-[4-[2-(2-fluoroethoxy)ethoxy]piperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-[4-[2-(2-fluoroethoxy)ethoxy]piperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 11-[4-[2-(2-fluoroethoxy)ethoxy]piperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 118262766) is 11-[4-[2-(2-fluoroethoxy)ethoxy]piperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 11-[4-[2-(2-fluoroethoxy)ethoxy]piperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 11-[4-[2-(2-fluoroethoxy)ethoxy]piperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is Cn1c2ccncc2c2ccc(N3CCC(OCCOCCF)CC3)nc21.
What is the InChIKey of 11-[4-[2-(2-fluoroethoxy)ethoxy]piperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is JUGOQEPWZPIPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2/c1-24-18-4-8-22-14-17(18)16-2-3-19(23-20(16)24)25-9-5-15(6-10-25)27-13-12-26-11-7-21/h2-4,8,14-15H,5-7,9-13H2,1H3.
What are the key properties of 11-[4-[2-(2-fluoroethoxy)ethoxy]piperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
11-[4-[2-(2-fluoroethoxy)ethoxy]piperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 372.44 g/mol, XLogP of 3.09, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-[2-(2-fluoroethoxy)ethoxy]piperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 118262766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).