5-tert-butyl-2,2-dimethyl-1-[2-(2-methylpropoxy)ethyl]piperazine

C16H34N2O — CID 106458636

IUPAC5-tert-butyl-2,2-dimethyl-1-[2-(2-methylpropoxy)ethyl]piperazine
SMILESCC(C)COCCN1CC(C(C)(C)C)NCC1(C)C
InChIInChI=1S/C16H34N2O/c1-13(2)11-19-9-8-18-10-14(15(3,4)5)17-12-16(18,6)7/h13-14,17H,8-12H2,1-7H3
InChIKeyYUKGQHKNCIPWQV-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.76
Rot. Bonds5

About 5-tert-butyl-2,2-dimethyl-1-[2-(2-methylpropoxy)ethyl]piperazine

5-tert-butyl-2,2-dimethyl-1-[2-(2-methylpropoxy)ethyl]piperazine (PubChem CID 106458636) 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-methylpropoxy)ethyl]piperazine.

Molecular Properties

Compound Name5-tert-butyl-2,2-dimethyl-1-[2-(2-methylpropoxy)ethyl]piperazine
PubChem CID106458636
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name5-tert-butyl-2,2-dimethyl-1-[2-(2-methylpropoxy)ethyl]piperazine
SMILESCC(C)COCCN1CC(C(C)(C)C)NCC1(C)C
InChIInChI=1S/C16H34N2O/c1-13(2)11-19-9-8-18-10-14(15(3,4)5)17-12-16(18,6)7/h13-14,17H,8-12H2,1-7H3
InChIKeyYUKGQHKNCIPWQV-UHFFFAOYSA-N
XLogP2.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-tert-butyl-2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 112592078
5-tert-butyl-2,2-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine
CID 64842451
5-tert-butyl-2,2-dimethyl-1-(2-methylbutyl)piperazine
CID 64842629
2,2-dimethyl-1-[2-(3-methylbutoxy)ethyl]-5-propylpiperazine
CID 64839580
5-butan-2-yl-1-(2-ethoxyethyl)-2,2-dimethylpiperazine
CID 64848829
2-cyclopropyl-2-methyl-1-[2-(2-methylpropoxy)ethyl]-5-propylpiperazine
CID 106458552
6-[2-(2-methylpropoxy)ethyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 106458569
5-tert-butyl-2,2-dimethyl-1-(pyridin-4-ylmethyl)piperazine
CID 64843004
2-ethyl-2-methyl-1-[2-(2-methylpropoxy)ethyl]piperazine
CID 106458488
5-butan-2-yl-2-tert-butyl-1-[2-(2-methylpropoxy)ethyl]piperazine
CID 106458682
5-butan-2-yl-2,2-dimethyl-1-(2-propan-2-yloxyethyl)piperazine
CID 64849215
5,5-diethyl-2,2-dimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine
CID 64862566

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2,2-dimethyl-1-[2-(2-methylpropoxy)ethyl]piperazine?
The IUPAC name of 5-tert-butyl-2,2-dimethyl-1-[2-(2-methylpropoxy)ethyl]piperazine (CID 106458636) is 5-tert-butyl-2,2-dimethyl-1-[2-(2-methylpropoxy)ethyl]piperazine.
What is the SMILES notation for 5-tert-butyl-2,2-dimethyl-1-[2-(2-methylpropoxy)ethyl]piperazine?
The canonical SMILES for 5-tert-butyl-2,2-dimethyl-1-[2-(2-methylpropoxy)ethyl]piperazine is CC(C)COCCN1CC(C(C)(C)C)NCC1(C)C.
What is the InChIKey of 5-tert-butyl-2,2-dimethyl-1-[2-(2-methylpropoxy)ethyl]piperazine?
The InChIKey is YUKGQHKNCIPWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-13(2)11-19-9-8-18-10-14(15(3,4)5)17-12-16(18,6)7/h13-14,17H,8-12H2,1-7H3.
What are the key properties of 5-tert-butyl-2,2-dimethyl-1-[2-(2-methylpropoxy)ethyl]piperazine?
5-tert-butyl-2,2-dimethyl-1-[2-(2-methylpropoxy)ethyl]piperazine has a molecular weight of 270.46 g/mol, XLogP of 2.76, 5 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-methylpropoxy)ethyl]piperazine is sourced from PubChem (CID 106458636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).