3-tert-butyl-9-[(1-tert-butylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane

C23H45N3 — CID 146549057

IUPAC3-tert-butyl-9-[(1-tert-butylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane
SMILESCC(C)(C)N1CCC(CN2CCC3(CC2)CCN(C(C)(C)C)CC3)CC1
InChIInChI=1S/C23H45N3/c1-21(2,3)25-13-7-20(8-14-25)19-24-15-9-23(10-16-24)11-17-26(18-12-23)22(4,5)6/h20H,7-19H2,1-6H3
InChIKeyGOFQNUQSDJKCLG-UHFFFAOYSA-N
MW363.63 g/mol
LogP4.47
Rot. Bonds2

About 3-tert-butyl-9-[(1-tert-butylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane

3-tert-butyl-9-[(1-tert-butylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane (PubChem CID 146549057) has the molecular formula C23H45N3 and a molecular weight of 363.63 g/mol. Its IUPAC name is 3-tert-butyl-9-[(1-tert-butylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-tert-butyl-9-[(1-tert-butylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane
PubChem CID146549057
Molecular FormulaC23H45N3
Molecular Weight363.63 g/mol
Exact Mass363.36
IUPAC Name3-tert-butyl-9-[(1-tert-butylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane
SMILESCC(C)(C)N1CCC(CN2CCC3(CC2)CCN(C(C)(C)C)CC3)CC1
InChIInChI=1S/C23H45N3/c1-21(2,3)25-13-7-20(8-14-25)19-24-15-9-23(10-16-24)11-17-26(18-12-23)22(4,5)6/h20H,7-19H2,1-6H3
InChIKeyGOFQNUQSDJKCLG-UHFFFAOYSA-N
XLogP4.47
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.63
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-9-[(1-tert-butylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 3-tert-butyl-9-[(1-tert-butylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane (CID 146549057) is 3-tert-butyl-9-[(1-tert-butylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-tert-butyl-9-[(1-tert-butylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 3-tert-butyl-9-[(1-tert-butylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane is CC(C)(C)N1CCC(CN2CCC3(CC2)CCN(C(C)(C)C)CC3)CC1.
What is the InChIKey of 3-tert-butyl-9-[(1-tert-butylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane?
The InChIKey is GOFQNUQSDJKCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45N3/c1-21(2,3)25-13-7-20(8-14-25)19-24-15-9-23(10-16-24)11-17-26(18-12-23)22(4,5)6/h20H,7-19H2,1-6H3.
What are the key properties of 3-tert-butyl-9-[(1-tert-butylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane?
3-tert-butyl-9-[(1-tert-butylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane has a molecular weight of 363.63 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-9-[(1-tert-butylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 146549057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).