5-tert-butyl-2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine

C16H34N2O — CID 112592078

IUPAC5-tert-butyl-2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
SMILESCC(C)(C)OCCN1CC(C(C)(C)C)NCC1(C)C
InChIInChI=1S/C16H34N2O/c1-14(2,3)13-11-18(16(7,8)12-17-13)9-10-19-15(4,5)6/h13,17H,9-12H2,1-8H3
InChIKeyCTDQZHPJBFFJFN-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.90
Rot. Bonds3

About 5-tert-butyl-2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine

5-tert-butyl-2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine (PubChem CID 112592078) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 5-tert-butyl-2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine.

Molecular Properties

Compound Name5-tert-butyl-2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
PubChem CID112592078
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name5-tert-butyl-2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
SMILESCC(C)(C)OCCN1CC(C(C)(C)C)NCC1(C)C
InChIInChI=1S/C16H34N2O/c1-14(2,3)13-11-18(16(7,8)12-17-13)9-10-19-15(4,5)6/h13,17H,9-12H2,1-8H3
InChIKeyCTDQZHPJBFFJFN-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-2,2-dimethyl-1-[2-(2-methylpropoxy)ethyl]piperazine
CID 106458636
5-tert-butyl-2,2-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine
CID 64842451
2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-phenylpiperazine
CID 115943657
2,2,5,5-tetramethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 112592059
5-tert-butyl-2,2-dimethyl-1-(2-methylbutyl)piperazine
CID 64842629
2-cyclopropyl-5-ethyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 112592075
5-tert-butyl-2,2-dimethyl-1-(pyridin-4-ylmethyl)piperazine
CID 64843004
(3S)-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 104976707
8-tert-butyl-6-(3-methoxypropyl)-6,9-diazaspiro[4.5]decane
CID 64843395
2-tert-butyl-5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 112592038
5-tert-butyl-2-cyclopropyl-1-(3-methoxy-3-methylbutyl)-2-methylpiperazine
CID 103016447
5-tert-butyl-2-ethyl-2-methyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64842641

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine?
The IUPAC name of 5-tert-butyl-2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine (CID 112592078) is 5-tert-butyl-2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine.
What is the SMILES notation for 5-tert-butyl-2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine?
The canonical SMILES for 5-tert-butyl-2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine is CC(C)(C)OCCN1CC(C(C)(C)C)NCC1(C)C.
What is the InChIKey of 5-tert-butyl-2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine?
The InChIKey is CTDQZHPJBFFJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-14(2,3)13-11-18(16(7,8)12-17-13)9-10-19-15(4,5)6/h13,17H,9-12H2,1-8H3.
What are the key properties of 5-tert-butyl-2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine?
5-tert-butyl-2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine has a molecular weight of 270.46 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine is sourced from PubChem (CID 112592078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).