2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane

C20H39N3 — CID 146547675

IUPAC2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane
SMILESCC(C)(C)N1CCC(CN2CCC3(C2)CN(C(C)(C)C)C3)CC1
InChIInChI=1S/C20H39N3/c1-18(2,3)22-10-7-17(8-11-22)13-21-12-9-20(14-21)15-23(16-20)19(4,5)6/h17H,7-16H2,1-6H3
InChIKeyWVEYDRBDMXKIPM-UHFFFAOYSA-N
MW321.55 g/mol
LogP3.30
Rot. Bonds2

About 2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane

2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane (PubChem CID 146547675) has the molecular formula C20H39N3 and a molecular weight of 321.55 g/mol. Its IUPAC name is 2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane
PubChem CID146547675
Molecular FormulaC20H39N3
Molecular Weight321.55 g/mol
Exact Mass321.31
IUPAC Name2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane
SMILESCC(C)(C)N1CCC(CN2CCC3(C2)CN(C(C)(C)C)C3)CC1
InChIInChI=1S/C20H39N3/c1-18(2,3)22-10-7-17(8-11-22)13-21-12-9-20(14-21)15-23(16-20)19(4,5)6/h17H,7-16H2,1-6H3
InChIKeyWVEYDRBDMXKIPM-UHFFFAOYSA-N
XLogP3.30
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.55
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane?
The IUPAC name of 2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane (CID 146547675) is 2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane.
What is the SMILES notation for 2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane?
The canonical SMILES for 2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane is CC(C)(C)N1CCC(CN2CCC3(C2)CN(C(C)(C)C)C3)CC1.
What is the InChIKey of 2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane?
The InChIKey is WVEYDRBDMXKIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3/c1-18(2,3)22-10-7-17(8-11-22)13-21-12-9-20(14-21)15-23(16-20)19(4,5)6/h17H,7-16H2,1-6H3.
What are the key properties of 2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane?
2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane has a molecular weight of 321.55 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane is sourced from PubChem (CID 146547675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).