1-tert-butyl-4-[[5-(2,2-dimethylpropyl)oxolan-2-yl]methyl]piperazine

C18H36N2O — CID 153494473

IUPAC1-tert-butyl-4-[[5-(2,2-dimethylpropyl)oxolan-2-yl]methyl]piperazine
SMILESCC(C)(C)CC1CCC(CN2CCN(C(C)(C)C)CC2)O1
InChIInChI=1S/C18H36N2O/c1-17(2,3)13-15-7-8-16(21-15)14-19-9-11-20(12-10-19)18(4,5)6/h15-16H,7-14H2,1-6H3
InChIKeyRBGKOCHYEUHWOG-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.39
Rot. Bonds3

About 1-tert-butyl-4-[[5-(2,2-dimethylpropyl)oxolan-2-yl]methyl]piperazine

1-tert-butyl-4-[[5-(2,2-dimethylpropyl)oxolan-2-yl]methyl]piperazine (PubChem CID 153494473) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 1-tert-butyl-4-[[5-(2,2-dimethylpropyl)oxolan-2-yl]methyl]piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-[[5-(2,2-dimethylpropyl)oxolan-2-yl]methyl]piperazine
PubChem CID153494473
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name1-tert-butyl-4-[[5-(2,2-dimethylpropyl)oxolan-2-yl]methyl]piperazine
SMILESCC(C)(C)CC1CCC(CN2CCN(C(C)(C)C)CC2)O1
InChIInChI=1S/C18H36N2O/c1-17(2,3)13-15-7-8-16(21-15)14-19-9-11-20(12-10-19)18(4,5)6/h15-16H,7-14H2,1-6H3
InChIKeyRBGKOCHYEUHWOG-UHFFFAOYSA-N
XLogP3.39
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[[5-(2,2-dimethylpropyl)oxolan-2-yl]methyl]piperazine?
The IUPAC name of 1-tert-butyl-4-[[5-(2,2-dimethylpropyl)oxolan-2-yl]methyl]piperazine (CID 153494473) is 1-tert-butyl-4-[[5-(2,2-dimethylpropyl)oxolan-2-yl]methyl]piperazine.
What is the SMILES notation for 1-tert-butyl-4-[[5-(2,2-dimethylpropyl)oxolan-2-yl]methyl]piperazine?
The canonical SMILES for 1-tert-butyl-4-[[5-(2,2-dimethylpropyl)oxolan-2-yl]methyl]piperazine is CC(C)(C)CC1CCC(CN2CCN(C(C)(C)C)CC2)O1.
What is the InChIKey of 1-tert-butyl-4-[[5-(2,2-dimethylpropyl)oxolan-2-yl]methyl]piperazine?
The InChIKey is RBGKOCHYEUHWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-17(2,3)13-15-7-8-16(21-15)14-19-9-11-20(12-10-19)18(4,5)6/h15-16H,7-14H2,1-6H3.
What are the key properties of 1-tert-butyl-4-[[5-(2,2-dimethylpropyl)oxolan-2-yl]methyl]piperazine?
1-tert-butyl-4-[[5-(2,2-dimethylpropyl)oxolan-2-yl]methyl]piperazine has a molecular weight of 296.50 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[[5-(2,2-dimethylpropyl)oxolan-2-yl]methyl]piperazine is sourced from PubChem (CID 153494473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).