3-tert-butyl-1-[2-(oxolan-3-yl)ethyl]piperazine

C14H28N2O — CID 114129863

IUPAC3-tert-butyl-1-[2-(oxolan-3-yl)ethyl]piperazine
SMILESCC(C)(C)C1CN(CCC2CCOC2)CCN1
InChIInChI=1S/C14H28N2O/c1-14(2,3)13-10-16(8-6-15-13)7-4-12-5-9-17-11-12/h12-13,15H,4-11H2,1-3H3
InChIKeyDQCUQYWCQSRSEU-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.73
Rot. Bonds3

About 3-tert-butyl-1-[2-(oxolan-3-yl)ethyl]piperazine

3-tert-butyl-1-[2-(oxolan-3-yl)ethyl]piperazine (PubChem CID 114129863) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-tert-butyl-1-[2-(oxolan-3-yl)ethyl]piperazine.

Molecular Properties

Compound Name3-tert-butyl-1-[2-(oxolan-3-yl)ethyl]piperazine
PubChem CID114129863
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-tert-butyl-1-[2-(oxolan-3-yl)ethyl]piperazine
SMILESCC(C)(C)C1CN(CCC2CCOC2)CCN1
InChIInChI=1S/C14H28N2O/c1-14(2,3)13-10-16(8-6-15-13)7-4-12-5-9-17-11-12/h12-13,15H,4-11H2,1-3H3
InChIKeyDQCUQYWCQSRSEU-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butyl-1-[2-(3-methylcyclohexyl)ethyl]piperazine
CID 64952439
3-tert-butyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-1,4-diazepane
CID 114516811
1-[2-(oxolan-3-yl)ethyl]-3-propan-2-yl-1,4-diazepane
CID 114129866
[1-[2-(oxolan-3-yl)ethyl]pyrrolidin-3-yl]methanol
CID 102670847
[4-[2-(oxolan-3-yl)ethyl]morpholin-2-yl]methanamine
CID 120844455
1-[1-[2-(oxolan-3-yl)ethyl]pyrrolidin-3-yl]ethanamine;hydrochloride
CID 120843380
3-tert-butyl-1-(2-methylpropyl)piperazine
CID 64833220
3-[2-(oxolan-3-yl)ethyl]-3,9-diazabicyclo[3.3.1]nonane
CID 120845704
5-tert-butyl-2-ethyl-1-(oxolan-3-ylmethyl)piperazine
CID 64843761
3-[2-(oxolan-3-yl)ethyl]-3,9-diazabicyclo[3.3.1]nonane;hydrochloride
CID 120845703
(2R,6R)-2,6-dimethyl-4-[2-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]ethyl]morpholine
CID 97092866
5-tert-butyl-2-cyclopropyl-2-methyl-1-(oxolan-3-ylmethyl)piperazine
CID 64842063

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-[2-(oxolan-3-yl)ethyl]piperazine?
The IUPAC name of 3-tert-butyl-1-[2-(oxolan-3-yl)ethyl]piperazine (CID 114129863) is 3-tert-butyl-1-[2-(oxolan-3-yl)ethyl]piperazine.
What is the SMILES notation for 3-tert-butyl-1-[2-(oxolan-3-yl)ethyl]piperazine?
The canonical SMILES for 3-tert-butyl-1-[2-(oxolan-3-yl)ethyl]piperazine is CC(C)(C)C1CN(CCC2CCOC2)CCN1.
What is the InChIKey of 3-tert-butyl-1-[2-(oxolan-3-yl)ethyl]piperazine?
The InChIKey is DQCUQYWCQSRSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-14(2,3)13-10-16(8-6-15-13)7-4-12-5-9-17-11-12/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 3-tert-butyl-1-[2-(oxolan-3-yl)ethyl]piperazine?
3-tert-butyl-1-[2-(oxolan-3-yl)ethyl]piperazine has a molecular weight of 240.39 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-[2-(oxolan-3-yl)ethyl]piperazine is sourced from PubChem (CID 114129863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).