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

C22H43N3 — CID 146549060

IUPAC8-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-2,8-diazaspiro[4.5]decane
SMILESCC(C)(C)N1CCC(CN2CCC3(CCN(C(C)(C)C)CC3)C2)CC1
InChIInChI=1S/C22H43N3/c1-20(2,3)24-12-7-19(8-13-24)17-23-14-9-22(18-23)10-15-25(16-11-22)21(4,5)6/h19H,7-18H2,1-6H3
InChIKeyJXPFBUQTEKTZLJ-UHFFFAOYSA-N
MW349.61 g/mol
LogP4.08
Rot. Bonds2

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

8-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-2,8-diazaspiro[4.5]decane (PubChem CID 146549060) has the molecular formula C22H43N3 and a molecular weight of 349.61 g/mol. Its IUPAC name is 8-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-2,8-diazaspiro[4.5]decane
PubChem CID146549060
Molecular FormulaC22H43N3
Molecular Weight349.61 g/mol
Exact Mass349.35
IUPAC Name8-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-2,8-diazaspiro[4.5]decane
SMILESCC(C)(C)N1CCC(CN2CCC3(CCN(C(C)(C)C)CC3)C2)CC1
InChIInChI=1S/C22H43N3/c1-20(2,3)24-12-7-19(8-13-24)17-23-14-9-22(18-23)10-15-25(16-11-22)21(4,5)6/h19H,7-18H2,1-6H3
InChIKeyJXPFBUQTEKTZLJ-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

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

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Related Compounds

2-methyl-8-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]-2,8-diazaspiro[4.5]decane
CID 171359115
3-Fluoro-1-[(1-methylpyrrolidin-3-yl)methyl]-4-(piperidin-1-ylmethyl)piperidine
CID 156349005
4-Tert-butyl-3-fluoro-1-[2-(1-methylpiperidin-4-yl)propan-2-yl]piperidine
CID 167091339
2-[(1-Fluoropiperidin-4-yl)methyl]-8-methyl-2,8-diazaspiro[4.5]decane
CID 170612572
1-Tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]-4-fluoropiperidine
CID 172110583
4-Tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-3-fluoropiperidine
CID 176629936
1-Tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]-3-fluoropiperidine
CID 176630077
4-Tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-4-fluoropiperidine
CID 176630078
7-(Cyclopropylmethyl)-2-(1-methyl-4-piperidinyl)-2,7-diazaspiro[4.5]decane
CID 45197007
1'-Ethyl-3-(1-pyrrolidinylmethyl)-1,4'-bipiperidine
CID 45929901
4,4-Dimethyl-1-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine
CID 20664176
1-[[1-(2,3-Dimethylbutan-2-yl)-4-methylpyrrolidin-3-yl]methyl]-4,4-dimethylpiperidine
CID 20664547

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-2,8-diazaspiro[4.5]decane?
The IUPAC name of 8-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-2,8-diazaspiro[4.5]decane (CID 146549060) is 8-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-2,8-diazaspiro[4.5]decane is CC(C)(C)N1CCC(CN2CCC3(CCN(C(C)(C)C)CC3)C2)CC1.
What is the InChIKey of 8-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-2,8-diazaspiro[4.5]decane?
The InChIKey is JXPFBUQTEKTZLJ-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(18-23)10-15-25(16-11-22)21(4,5)6/h19H,7-18H2,1-6H3.
What are the key properties of 8-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-2,8-diazaspiro[4.5]decane?
8-tert-butyl-2-[(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 8-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 146549060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).