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

C20H39N3 — CID 58101750

IUPAC3-tert-butyl-9-[(1-methylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane
SMILESCN1CCC(CN2CCC3(CC2)CCN(C(C)(C)C)CC3)CC1
InChIInChI=1S/C20H39N3/c1-19(2,3)23-15-9-20(10-16-23)7-13-22(14-8-20)17-18-5-11-21(4)12-6-18/h18H,5-17H2,1-4H3
InChIKeyDFQOHYPUMAQOQA-UHFFFAOYSA-N
MW321.55 g/mol
LogP3.30
Rot. Bonds2

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

3-tert-butyl-9-[(1-methylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane (PubChem CID 58101750) has the molecular formula C20H39N3 and a molecular weight of 321.55 g/mol. Its IUPAC name is 3-tert-butyl-9-[(1-methylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-tert-butyl-9-[(1-methylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane
PubChem CID58101750
Molecular FormulaC20H39N3
Molecular Weight321.55 g/mol
Exact Mass321.31
IUPAC Name3-tert-butyl-9-[(1-methylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane
SMILESCN1CCC(CN2CCC3(CC2)CCN(C(C)(C)C)CC3)CC1
InChIInChI=1S/C20H39N3/c1-19(2,3)23-15-9-20(10-16-23)7-13-22(14-8-20)17-18-5-11-21(4)12-6-18/h18H,5-17H2,1-4H3
InChIKeyDFQOHYPUMAQOQA-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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Related Compounds

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4-Fluoro-1-(1-methylpiperidin-4-yl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine
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3-Fluoro-9-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 170706105
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CID 171723123
1-Tert-butyl-4-[[4-(1-tert-butylpiperidin-4-yl)piperidin-1-yl]methyl]-3-fluoropiperidine
CID 172110514
1-Tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]-4-fluoropiperidine
CID 172110583
1-(1-Tert-butylpiperidin-4-yl)-4-[(4-tert-butylpiperidin-1-yl)methyl]-4-fluoropiperidine
CID 172511522
1-Tert-butyl-4-[[4-(4-tert-butylpiperidin-1-yl)piperidin-1-yl]methyl]-4-fluoropiperidine
CID 172511568
1-Tert-butyl-4-[[4-(1-tert-butylpiperidin-4-yl)piperidin-1-yl]methyl]-4-fluoropiperidine
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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-9-[(1-methylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 3-tert-butyl-9-[(1-methylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane (CID 58101750) is 3-tert-butyl-9-[(1-methylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-tert-butyl-9-[(1-methylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 3-tert-butyl-9-[(1-methylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane is CN1CCC(CN2CCC3(CC2)CCN(C(C)(C)C)CC3)CC1.
What is the InChIKey of 3-tert-butyl-9-[(1-methylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane?
The InChIKey is DFQOHYPUMAQOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3/c1-19(2,3)23-15-9-20(10-16-23)7-13-22(14-8-20)17-18-5-11-21(4)12-6-18/h18H,5-17H2,1-4H3.
What are the key properties of 3-tert-butyl-9-[(1-methylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane?
3-tert-butyl-9-[(1-methylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane 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 3-tert-butyl-9-[(1-methylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 58101750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).