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

C19H36FN3 — CID 176634113

IUPAC2-tert-butyl-6-[(1-tert-butyl-4-fluoropiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane
SMILESCC(C)(C)N1CCC(F)(CN2CC3(C2)CN(C(C)(C)C)C3)CC1
InChIInChI=1S/C19H36FN3/c1-16(2,3)22-9-7-19(20,8-10-22)15-21-11-18(12-21)13-23(14-18)17(4,5)6/h7-15H2,1-6H3
InChIKeyCWUIXLJXBKXSGC-UHFFFAOYSA-N
MW325.52 g/mol
LogP3.01
Rot. Bonds2

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

2-tert-butyl-6-[(1-tert-butyl-4-fluoropiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane (PubChem CID 176634113) has the molecular formula C19H36FN3 and a molecular weight of 325.52 g/mol. Its IUPAC name is 2-tert-butyl-6-[(1-tert-butyl-4-fluoropiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name2-tert-butyl-6-[(1-tert-butyl-4-fluoropiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane
PubChem CID176634113
Molecular FormulaC19H36FN3
Molecular Weight325.52 g/mol
Exact Mass325.29
IUPAC Name2-tert-butyl-6-[(1-tert-butyl-4-fluoropiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane
SMILESCC(C)(C)N1CCC(F)(CN2CC3(C2)CN(C(C)(C)C)C3)CC1
InChIInChI=1S/C19H36FN3/c1-16(2,3)22-9-7-19(20,8-10-22)15-21-11-18(12-21)13-23(14-18)17(4,5)6/h7-15H2,1-6H3
InChIKeyCWUIXLJXBKXSGC-UHFFFAOYSA-N
XLogP3.01
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.52
LogP ≤ 53.01
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-[(1-tert-butyl-4-fluoropiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane?
The IUPAC name of 2-tert-butyl-6-[(1-tert-butyl-4-fluoropiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane (CID 176634113) is 2-tert-butyl-6-[(1-tert-butyl-4-fluoropiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 2-tert-butyl-6-[(1-tert-butyl-4-fluoropiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for 2-tert-butyl-6-[(1-tert-butyl-4-fluoropiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane is CC(C)(C)N1CCC(F)(CN2CC3(C2)CN(C(C)(C)C)C3)CC1.
What is the InChIKey of 2-tert-butyl-6-[(1-tert-butyl-4-fluoropiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane?
The InChIKey is CWUIXLJXBKXSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36FN3/c1-16(2,3)22-9-7-19(20,8-10-22)15-21-11-18(12-21)13-23(14-18)17(4,5)6/h7-15H2,1-6H3.
What are the key properties of 2-tert-butyl-6-[(1-tert-butyl-4-fluoropiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane?
2-tert-butyl-6-[(1-tert-butyl-4-fluoropiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane has a molecular weight of 325.52 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[(1-tert-butyl-4-fluoropiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 176634113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).