2-tert-butyl-5-cyclopropyl-5-methyl-1-[2-(oxolan-2-yl)ethyl]piperazine

C18H34N2O — CID 65170537

IUPAC2-tert-butyl-5-cyclopropyl-5-methyl-1-[2-(oxolan-2-yl)ethyl]piperazine
SMILESCC(C)(C)C1CNC(C)(C2CC2)CN1CCC1CCCO1
InChIInChI=1S/C18H34N2O/c1-17(2,3)16-12-19-18(4,14-7-8-14)13-20(16)10-9-15-6-5-11-21-15/h14-16,19H,5-13H2,1-4H3
InChIKeyRNBDKRAYPBSSFO-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.04
Rot. Bonds4

About 2-tert-butyl-5-cyclopropyl-5-methyl-1-[2-(oxolan-2-yl)ethyl]piperazine

2-tert-butyl-5-cyclopropyl-5-methyl-1-[2-(oxolan-2-yl)ethyl]piperazine (PubChem CID 65170537) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 2-tert-butyl-5-cyclopropyl-5-methyl-1-[2-(oxolan-2-yl)ethyl]piperazine.

Molecular Properties

Compound Name2-tert-butyl-5-cyclopropyl-5-methyl-1-[2-(oxolan-2-yl)ethyl]piperazine
PubChem CID65170537
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name2-tert-butyl-5-cyclopropyl-5-methyl-1-[2-(oxolan-2-yl)ethyl]piperazine
SMILESCC(C)(C)C1CNC(C)(C2CC2)CN1CCC1CCCO1
InChIInChI=1S/C18H34N2O/c1-17(2,3)16-12-19-18(4,14-7-8-14)13-20(16)10-9-15-6-5-11-21-15/h14-16,19H,5-13H2,1-4H3
InChIKeyRNBDKRAYPBSSFO-UHFFFAOYSA-N
XLogP3.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-2-tert-butyl-5-cyclopropyl-5-methylpiperazine
CID 64877528
5-cyclopropyl-5-methyl-1-[3-(oxolan-2-yl)propyl]-2-propan-2-ylpiperazine
CID 65170486
2-tert-butyl-5,5-dimethyl-1-(oxolan-2-ylmethyl)piperazine
CID 64839542
8-cyclopropyl-8-methyl-6-[2-(oxolan-2-yl)ethyl]-6,9-diazaspiro[4.5]decane
CID 65170634
2,5,5-trimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine
CID 64947488
5,5-dimethyl-2-(2-methylpropyl)-1-[2-(oxolan-2-yl)ethyl]piperazine
CID 65170378
1-(2-cyclohexylethyl)-5-cyclopropyl-2,5-dimethylpiperazine
CID 64934954
2-tert-butyl-5-methyl-1-[3-(oxolan-2-yl)propyl]piperazine
CID 65170275
5-ethyl-5-methyl-1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine
CID 64945561
2,5-dicyclopropyl-2,5-dimethyl-1-(oxan-2-ylmethyl)piperazine
CID 64861372
3-tert-butyl-6,6-dimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione
CID 65170251
5-tert-butyl-1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine
CID 64947681

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-cyclopropyl-5-methyl-1-[2-(oxolan-2-yl)ethyl]piperazine?
The IUPAC name of 2-tert-butyl-5-cyclopropyl-5-methyl-1-[2-(oxolan-2-yl)ethyl]piperazine (CID 65170537) is 2-tert-butyl-5-cyclopropyl-5-methyl-1-[2-(oxolan-2-yl)ethyl]piperazine.
What is the SMILES notation for 2-tert-butyl-5-cyclopropyl-5-methyl-1-[2-(oxolan-2-yl)ethyl]piperazine?
The canonical SMILES for 2-tert-butyl-5-cyclopropyl-5-methyl-1-[2-(oxolan-2-yl)ethyl]piperazine is CC(C)(C)C1CNC(C)(C2CC2)CN1CCC1CCCO1.
What is the InChIKey of 2-tert-butyl-5-cyclopropyl-5-methyl-1-[2-(oxolan-2-yl)ethyl]piperazine?
The InChIKey is RNBDKRAYPBSSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-17(2,3)16-12-19-18(4,14-7-8-14)13-20(16)10-9-15-6-5-11-21-15/h14-16,19H,5-13H2,1-4H3.
What are the key properties of 2-tert-butyl-5-cyclopropyl-5-methyl-1-[2-(oxolan-2-yl)ethyl]piperazine?
2-tert-butyl-5-cyclopropyl-5-methyl-1-[2-(oxolan-2-yl)ethyl]piperazine has a molecular weight of 294.48 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-cyclopropyl-5-methyl-1-[2-(oxolan-2-yl)ethyl]piperazine is sourced from PubChem (CID 65170537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).