2-tert-butyl-8-[(1-tert-butylpiperidin-4-yl)methyl]-2,8-diazaspiro[4.5]decane

C22H43N3 — CID 146548379

IUPAC2-tert-butyl-8-[(1-tert-butylpiperidin-4-yl)methyl]-2,8-diazaspiro[4.5]decane
SMILESCC(C)(C)N1CCC(CN2CCC3(CC2)CCN(C(C)(C)C)C3)CC1
InChIInChI=1S/C22H43N3/c1-20(2,3)24-12-7-19(8-13-24)17-23-14-9-22(10-15-23)11-16-25(18-22)21(4,5)6/h19H,7-18H2,1-6H3
InChIKeyUDFYMAOYCAUGJC-UHFFFAOYSA-N
MW349.61 g/mol
LogP4.08
Rot. Bonds2

About 2-tert-butyl-8-[(1-tert-butylpiperidin-4-yl)methyl]-2,8-diazaspiro[4.5]decane

2-tert-butyl-8-[(1-tert-butylpiperidin-4-yl)methyl]-2,8-diazaspiro[4.5]decane (PubChem CID 146548379) has the molecular formula C22H43N3 and a molecular weight of 349.61 g/mol. Its IUPAC name is 2-tert-butyl-8-[(1-tert-butylpiperidin-4-yl)methyl]-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-tert-butyl-8-[(1-tert-butylpiperidin-4-yl)methyl]-2,8-diazaspiro[4.5]decane
PubChem CID146548379
Molecular FormulaC22H43N3
Molecular Weight349.61 g/mol
Exact Mass349.35
IUPAC Name2-tert-butyl-8-[(1-tert-butylpiperidin-4-yl)methyl]-2,8-diazaspiro[4.5]decane
SMILESCC(C)(C)N1CCC(CN2CCC3(CC2)CCN(C(C)(C)C)C3)CC1
InChIInChI=1S/C22H43N3/c1-20(2,3)24-12-7-19(8-13-24)17-23-14-9-22(10-15-23)11-16-25(18-22)21(4,5)6/h19H,7-18H2,1-6H3
InChIKeyUDFYMAOYCAUGJC-UHFFFAOYSA-N
XLogP4.08
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.61
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-8-[(1-tert-butylpiperidin-4-yl)methyl]-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-tert-butyl-8-[(1-tert-butylpiperidin-4-yl)methyl]-2,8-diazaspiro[4.5]decane (CID 146548379) is 2-tert-butyl-8-[(1-tert-butylpiperidin-4-yl)methyl]-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-tert-butyl-8-[(1-tert-butylpiperidin-4-yl)methyl]-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-tert-butyl-8-[(1-tert-butylpiperidin-4-yl)methyl]-2,8-diazaspiro[4.5]decane is CC(C)(C)N1CCC(CN2CCC3(CC2)CCN(C(C)(C)C)C3)CC1.
What is the InChIKey of 2-tert-butyl-8-[(1-tert-butylpiperidin-4-yl)methyl]-2,8-diazaspiro[4.5]decane?
The InChIKey is UDFYMAOYCAUGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N3/c1-20(2,3)24-12-7-19(8-13-24)17-23-14-9-22(10-15-23)11-16-25(18-22)21(4,5)6/h19H,7-18H2,1-6H3.
What are the key properties of 2-tert-butyl-8-[(1-tert-butylpiperidin-4-yl)methyl]-2,8-diazaspiro[4.5]decane?
2-tert-butyl-8-[(1-tert-butylpiperidin-4-yl)methyl]-2,8-diazaspiro[4.5]decane has a molecular weight of 349.61 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-8-[(1-tert-butylpiperidin-4-yl)methyl]-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 146548379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).