5-tert-butyl-1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine

C17H34N2O — CID 64947681

IUPAC5-tert-butyl-1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C(C)(C)C)CN1CCC1CCCO1
InChIInChI=1S/C17H34N2O/c1-13(2)15-11-18-16(17(3,4)5)12-19(15)9-8-14-7-6-10-20-14/h13-16,18H,6-12H2,1-5H3
InChIKeyNFDBCJOCZOWJFQ-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.90
Rot. Bonds4

About 5-tert-butyl-1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine

5-tert-butyl-1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine (PubChem CID 64947681) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 5-tert-butyl-1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-tert-butyl-1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine
PubChem CID64947681
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name5-tert-butyl-1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C(C)(C)C)CN1CCC1CCCO1
InChIInChI=1S/C17H34N2O/c1-13(2)15-11-18-16(17(3,4)5)12-19(15)9-8-14-7-6-10-20-14/h13-16,18H,6-12H2,1-5H3
InChIKeyNFDBCJOCZOWJFQ-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-butan-2-yl-1-[2-(oxolan-2-yl)ethyl]-5-propylpiperazine
CID 65170424
5-tert-butyl-2-methyl-1-(oxolan-2-ylmethyl)piperazine
CID 64841812
5-tert-butyl-1-(cyclopropylmethyl)-2-propan-2-ylpiperazine
CID 64842219
3-[2-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole
CID 106421430
1-(oxolan-2-ylmethyl)-2,5-di(propan-2-yl)piperazine
CID 64839224
1-(2-butoxyethyl)-5-tert-butyl-2-propan-2-ylpiperazine
CID 64842412
4-[2-(oxolan-2-yl)ethyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64947296
5-ethyl-5-methyl-1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine
CID 64945561
4-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)-N,N-dimethylbutan-1-amine
CID 64946962
5-tert-butyl-1-[2-(3-methoxypropoxy)ethyl]-2-propan-2-ylpiperazine
CID 103184526
3-[2-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 106408917
5-tert-butyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine
CID 106008736

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine?
The IUPAC name of 5-tert-butyl-1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine (CID 64947681) is 5-tert-butyl-1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-tert-butyl-1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine?
The canonical SMILES for 5-tert-butyl-1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine is CC(C)C1CNC(C(C)(C)C)CN1CCC1CCCO1.
What is the InChIKey of 5-tert-butyl-1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine?
The InChIKey is NFDBCJOCZOWJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-13(2)15-11-18-16(17(3,4)5)12-19(15)9-8-14-7-6-10-20-14/h13-16,18H,6-12H2,1-5H3.
What are the key properties of 5-tert-butyl-1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine?
5-tert-butyl-1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine has a molecular weight of 282.47 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine is sourced from PubChem (CID 64947681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).