2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[4.4]nonane

C21H41N3 — CID 153486094

IUPAC2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[4.4]nonane
SMILESCC(C)(C)N1CCC(CN2CCC3(CCN(C(C)(C)C)C3)C2)CC1
InChIInChI=1S/C21H41N3/c1-19(2,3)23-11-7-18(8-12-23)15-22-13-9-21(16-22)10-14-24(17-21)20(4,5)6/h18H,7-17H2,1-6H3
InChIKeyXTAKGILKQNKYGQ-UHFFFAOYSA-N
MW335.58 g/mol
LogP3.69
Rot. Bonds2

About 2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[4.4]nonane

2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[4.4]nonane (PubChem CID 153486094) has the molecular formula C21H41N3 and a molecular weight of 335.58 g/mol. Its IUPAC name is 2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[4.4]nonane
PubChem CID153486094
Molecular FormulaC21H41N3
Molecular Weight335.58 g/mol
Exact Mass335.33
IUPAC Name2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[4.4]nonane
SMILESCC(C)(C)N1CCC(CN2CCC3(CCN(C(C)(C)C)C3)C2)CC1
InChIInChI=1S/C21H41N3/c1-19(2,3)23-11-7-18(8-12-23)15-22-13-9-21(16-22)10-14-24(17-21)20(4,5)6/h18H,7-17H2,1-6H3
InChIKeyXTAKGILKQNKYGQ-UHFFFAOYSA-N
XLogP3.69
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.58
LogP ≤ 53.69
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[4.4]nonane?
The IUPAC name of 2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[4.4]nonane (CID 153486094) is 2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for 2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[4.4]nonane is CC(C)(C)N1CCC(CN2CCC3(CCN(C(C)(C)C)C3)C2)CC1.
What is the InChIKey of 2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[4.4]nonane?
The InChIKey is XTAKGILKQNKYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N3/c1-19(2,3)23-11-7-18(8-12-23)15-22-13-9-21(16-22)10-14-24(17-21)20(4,5)6/h18H,7-17H2,1-6H3.
What are the key properties of 2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[4.4]nonane?
2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[4.4]nonane has a molecular weight of 335.58 g/mol, XLogP of 3.69, 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[4.4]nonane is sourced from PubChem (CID 153486094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).