2-(4-tert-butyl-2,2,6,6-tetraethylpiperazin-1-yl)oxy-2-methylpropanenitrile

C20H39N3O — CID 141003769

IUPAC2-(4-tert-butyl-2,2,6,6-tetraethylpiperazin-1-yl)oxy-2-methylpropanenitrile
SMILESCCC1(CC)CN(C(C)(C)C)CC(CC)(CC)N1OC(C)(C)C#N
InChIInChI=1S/C20H39N3O/c1-10-19(11-2)15-22(17(5,6)7)16-20(12-3,13-4)23(19)24-18(8,9)14-21/h10-13,15-16H2,1-9H3
InChIKeyAXXJYBDHCRRUFH-UHFFFAOYSA-N
MW337.55 g/mol
LogP4.75
Rot. Bonds6

About 2-(4-tert-butyl-2,2,6,6-tetraethylpiperazin-1-yl)oxy-2-methylpropanenitrile

2-(4-tert-butyl-2,2,6,6-tetraethylpiperazin-1-yl)oxy-2-methylpropanenitrile (PubChem CID 141003769) has the molecular formula C20H39N3O and a molecular weight of 337.55 g/mol. Its IUPAC name is 2-(4-tert-butyl-2,2,6,6-tetraethylpiperazin-1-yl)oxy-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(4-tert-butyl-2,2,6,6-tetraethylpiperazin-1-yl)oxy-2-methylpropanenitrile
PubChem CID141003769
Molecular FormulaC20H39N3O
Molecular Weight337.55 g/mol
Exact Mass337.31
IUPAC Name2-(4-tert-butyl-2,2,6,6-tetraethylpiperazin-1-yl)oxy-2-methylpropanenitrile
SMILESCCC1(CC)CN(C(C)(C)C)CC(CC)(CC)N1OC(C)(C)C#N
InChIInChI=1S/C20H39N3O/c1-10-19(11-2)15-22(17(5,6)7)16-20(12-3,13-4)23(19)24-18(8,9)14-21/h10-13,15-16H2,1-9H3
InChIKeyAXXJYBDHCRRUFH-UHFFFAOYSA-N
XLogP4.75
TPSA39.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.55
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropanenitrile
CID 101492699
1-tert-butyl-3,3-dimethylazetidine
CID 14090352
1-tert-butyl-3-ethyl-3-methylpiperazine
CID 64920009
1-tert-butyl-3-but-1-ynylazetidin-3-ol
CID 156648541
2-(3-ethyl-3-hydroxypyrrolidin-1-yl)-2-methylpropanenitrile
CID 126993052
ethyl 3-amino-1-tert-butylazetidine-3-carboxylate
CID 102391991
2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butylpiperazine
CID 159767975
1-tert-butyl-3-methylpyrrolidine-3-carbonitrile
CID 129119605
2-tert-butyl-2-azaspiro[3.3]heptane
CID 58166810
2,8-ditert-butyl-2,5,8-triazaspiro[3.5]nonane
CID 170939414
1-tert-butyl-4-ethylpiperidin-4-ol
CID 58889957
2-(4-tert-butylpiperazine-1-carbonyl)-2-methylbutanenitrile
CID 114291223

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2,2,6,6-tetraethylpiperazin-1-yl)oxy-2-methylpropanenitrile?
The IUPAC name of 2-(4-tert-butyl-2,2,6,6-tetraethylpiperazin-1-yl)oxy-2-methylpropanenitrile (CID 141003769) is 2-(4-tert-butyl-2,2,6,6-tetraethylpiperazin-1-yl)oxy-2-methylpropanenitrile.
What is the SMILES notation for 2-(4-tert-butyl-2,2,6,6-tetraethylpiperazin-1-yl)oxy-2-methylpropanenitrile?
The canonical SMILES for 2-(4-tert-butyl-2,2,6,6-tetraethylpiperazin-1-yl)oxy-2-methylpropanenitrile is CCC1(CC)CN(C(C)(C)C)CC(CC)(CC)N1OC(C)(C)C#N.
What is the InChIKey of 2-(4-tert-butyl-2,2,6,6-tetraethylpiperazin-1-yl)oxy-2-methylpropanenitrile?
The InChIKey is AXXJYBDHCRRUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3O/c1-10-19(11-2)15-22(17(5,6)7)16-20(12-3,13-4)23(19)24-18(8,9)14-21/h10-13,15-16H2,1-9H3.
What are the key properties of 2-(4-tert-butyl-2,2,6,6-tetraethylpiperazin-1-yl)oxy-2-methylpropanenitrile?
2-(4-tert-butyl-2,2,6,6-tetraethylpiperazin-1-yl)oxy-2-methylpropanenitrile has a molecular weight of 337.55 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2,2,6,6-tetraethylpiperazin-1-yl)oxy-2-methylpropanenitrile is sourced from PubChem (CID 141003769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).