2-butan-2-yl-5-tert-butyl-1-(2-methylbutyl)piperazine

C17H36N2 — CID 64841257

IUPAC2-butan-2-yl-5-tert-butyl-1-(2-methylbutyl)piperazine
SMILESCCC(C)CN1CC(C(C)(C)C)NCC1C(C)CC
InChIInChI=1S/C17H36N2/c1-8-13(3)11-19-12-16(17(5,6)7)18-10-15(19)14(4)9-2/h13-16,18H,8-12H2,1-7H3
InChIKeyQWWPTXZNXCMVFP-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.77
Rot. Bonds5

About 2-butan-2-yl-5-tert-butyl-1-(2-methylbutyl)piperazine

2-butan-2-yl-5-tert-butyl-1-(2-methylbutyl)piperazine (PubChem CID 64841257) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 2-butan-2-yl-5-tert-butyl-1-(2-methylbutyl)piperazine.

Molecular Properties

Compound Name2-butan-2-yl-5-tert-butyl-1-(2-methylbutyl)piperazine
PubChem CID64841257
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name2-butan-2-yl-5-tert-butyl-1-(2-methylbutyl)piperazine
SMILESCCC(C)CN1CC(C(C)(C)C)NCC1C(C)CC
InChIInChI=1S/C17H36N2/c1-8-13(3)11-19-12-16(17(5,6)7)18-10-15(19)14(4)9-2/h13-16,18H,8-12H2,1-7H3
InChIKeyQWWPTXZNXCMVFP-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-butan-2-yl-5-tert-butyl-1-propylpiperazine
CID 64841066
2-butan-2-yl-5-tert-butyl-1-(2-fluoroethyl)piperazine
CID 80697870
2-butan-2-yl-5-methyl-1-(2-methylbutyl)piperazine
CID 64844318
2-butan-2-yl-1,5-bis(2-methylpropyl)piperazine
CID 64847195
5-tert-butyl-1-(cyclopropylmethyl)-2-propan-2-ylpiperazine
CID 64842219
5-tert-butyl-1-(2-methylpropyl)-2-propylpiperazine
CID 64841242
5-tert-butyl-2,2-dimethyl-1-(2-methylbutyl)piperazine
CID 64842629
2-butan-2-yl-1,5-diethylpiperazine
CID 64842903
5-tert-butyl-2-propan-2-yl-1-(2,2,3,3-tetrafluoropropyl)piperazine
CID 106294168
5-tert-butyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine
CID 106008736
3-tert-butyl-7-methyl-1-(2-methylpentyl)-1,4-diazepane
CID 64870421
1-(2-butoxyethyl)-5-tert-butyl-2-propan-2-ylpiperazine
CID 64842412

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5-tert-butyl-1-(2-methylbutyl)piperazine?
The IUPAC name of 2-butan-2-yl-5-tert-butyl-1-(2-methylbutyl)piperazine (CID 64841257) is 2-butan-2-yl-5-tert-butyl-1-(2-methylbutyl)piperazine.
What is the SMILES notation for 2-butan-2-yl-5-tert-butyl-1-(2-methylbutyl)piperazine?
The canonical SMILES for 2-butan-2-yl-5-tert-butyl-1-(2-methylbutyl)piperazine is CCC(C)CN1CC(C(C)(C)C)NCC1C(C)CC.
What is the InChIKey of 2-butan-2-yl-5-tert-butyl-1-(2-methylbutyl)piperazine?
The InChIKey is QWWPTXZNXCMVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-8-13(3)11-19-12-16(17(5,6)7)18-10-15(19)14(4)9-2/h13-16,18H,8-12H2,1-7H3.
What are the key properties of 2-butan-2-yl-5-tert-butyl-1-(2-methylbutyl)piperazine?
2-butan-2-yl-5-tert-butyl-1-(2-methylbutyl)piperazine has a molecular weight of 268.49 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5-tert-butyl-1-(2-methylbutyl)piperazine is sourced from PubChem (CID 64841257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).