2-tert-butyl-6-[2-(1-tert-butyl-4-fluoropiperidin-4-yl)ethyl]-2,6-diazaspiro[3.3]heptane

C20H38FN3 — CID 176633988

IUPAC2-tert-butyl-6-[2-(1-tert-butyl-4-fluoropiperidin-4-yl)ethyl]-2,6-diazaspiro[3.3]heptane
SMILESCC(C)(C)N1CCC(F)(CCN2CC3(C2)CN(C(C)(C)C)C3)CC1
InChIInChI=1S/C20H38FN3/c1-17(2,3)23-11-8-20(21,9-12-23)7-10-22-13-19(14-22)15-24(16-19)18(4,5)6/h7-16H2,1-6H3
InChIKeyDADYAFCBNUGKJB-UHFFFAOYSA-N
MW339.54 g/mol
LogP3.40
Rot. Bonds3

About 2-tert-butyl-6-[2-(1-tert-butyl-4-fluoropiperidin-4-yl)ethyl]-2,6-diazaspiro[3.3]heptane

2-tert-butyl-6-[2-(1-tert-butyl-4-fluoropiperidin-4-yl)ethyl]-2,6-diazaspiro[3.3]heptane (PubChem CID 176633988) has the molecular formula C20H38FN3 and a molecular weight of 339.54 g/mol. Its IUPAC name is 2-tert-butyl-6-[2-(1-tert-butyl-4-fluoropiperidin-4-yl)ethyl]-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name2-tert-butyl-6-[2-(1-tert-butyl-4-fluoropiperidin-4-yl)ethyl]-2,6-diazaspiro[3.3]heptane
PubChem CID176633988
Molecular FormulaC20H38FN3
Molecular Weight339.54 g/mol
Exact Mass339.30
IUPAC Name2-tert-butyl-6-[2-(1-tert-butyl-4-fluoropiperidin-4-yl)ethyl]-2,6-diazaspiro[3.3]heptane
SMILESCC(C)(C)N1CCC(F)(CCN2CC3(C2)CN(C(C)(C)C)C3)CC1
InChIInChI=1S/C20H38FN3/c1-17(2,3)23-11-8-20(21,9-12-23)7-10-22-13-19(14-22)15-24(16-19)18(4,5)6/h7-16H2,1-6H3
InChIKeyDADYAFCBNUGKJB-UHFFFAOYSA-N
XLogP3.40
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.54
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[2-(1-tert-butyl-4-fluoropiperidin-4-yl)ethyl]-2,6-diazaspiro[3.3]heptane?
The IUPAC name of 2-tert-butyl-6-[2-(1-tert-butyl-4-fluoropiperidin-4-yl)ethyl]-2,6-diazaspiro[3.3]heptane (CID 176633988) is 2-tert-butyl-6-[2-(1-tert-butyl-4-fluoropiperidin-4-yl)ethyl]-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 2-tert-butyl-6-[2-(1-tert-butyl-4-fluoropiperidin-4-yl)ethyl]-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for 2-tert-butyl-6-[2-(1-tert-butyl-4-fluoropiperidin-4-yl)ethyl]-2,6-diazaspiro[3.3]heptane is CC(C)(C)N1CCC(F)(CCN2CC3(C2)CN(C(C)(C)C)C3)CC1.
What is the InChIKey of 2-tert-butyl-6-[2-(1-tert-butyl-4-fluoropiperidin-4-yl)ethyl]-2,6-diazaspiro[3.3]heptane?
The InChIKey is DADYAFCBNUGKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38FN3/c1-17(2,3)23-11-8-20(21,9-12-23)7-10-22-13-19(14-22)15-24(16-19)18(4,5)6/h7-16H2,1-6H3.
What are the key properties of 2-tert-butyl-6-[2-(1-tert-butyl-4-fluoropiperidin-4-yl)ethyl]-2,6-diazaspiro[3.3]heptane?
2-tert-butyl-6-[2-(1-tert-butyl-4-fluoropiperidin-4-yl)ethyl]-2,6-diazaspiro[3.3]heptane has a molecular weight of 339.54 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[2-(1-tert-butyl-4-fluoropiperidin-4-yl)ethyl]-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 176633988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).