5-tert-butyl-2-ethyl-1-(oxolan-3-ylmethyl)piperazine

C15H30N2O — CID 64843761

IUPAC5-tert-butyl-2-ethyl-1-(oxolan-3-ylmethyl)piperazine
SMILESCCC1CNC(C(C)(C)C)CN1CC1CCOC1
InChIInChI=1S/C15H30N2O/c1-5-13-8-16-14(15(2,3)4)10-17(13)9-12-6-7-18-11-12/h12-14,16H,5-11H2,1-4H3
InChIKeyKFIXYZQIPGIXMZ-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.12
Rot. Bonds3

About 5-tert-butyl-2-ethyl-1-(oxolan-3-ylmethyl)piperazine

5-tert-butyl-2-ethyl-1-(oxolan-3-ylmethyl)piperazine (PubChem CID 64843761) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 5-tert-butyl-2-ethyl-1-(oxolan-3-ylmethyl)piperazine.

Molecular Properties

Compound Name5-tert-butyl-2-ethyl-1-(oxolan-3-ylmethyl)piperazine
PubChem CID64843761
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name5-tert-butyl-2-ethyl-1-(oxolan-3-ylmethyl)piperazine
SMILESCCC1CNC(C(C)(C)C)CN1CC1CCOC1
InChIInChI=1S/C15H30N2O/c1-5-13-8-16-14(15(2,3)4)10-17(13)9-12-6-7-18-11-12/h12-14,16H,5-11H2,1-4H3
InChIKeyKFIXYZQIPGIXMZ-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-2-ethyl-1-(oxan-3-ylmethyl)piperazine
CID 64945973
5-cyclopropyl-2-ethyl-1-(oxolan-3-ylmethyl)piperazine
CID 64861065
2,5-diethyl-1-(oxan-4-ylmethyl)piperazine
CID 64842307
5-tert-butyl-1-(cyclohex-3-en-1-ylmethyl)-2-ethylpiperazine
CID 64946001
2-ethyl-5-(2-methylpropyl)-1-(oxan-3-ylmethyl)piperazine
CID 64947706
5-tert-butyl-2-cyclopropyl-2-methyl-1-(oxolan-3-ylmethyl)piperazine
CID 64842063
2-ethyl-5-(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine
CID 64848728
2-tert-butyl-5-methyl-1-(oxolan-3-ylmethyl)piperazine
CID 64845762
5-cyclohexyl-2-ethyl-1-(oxan-4-ylmethyl)piperazine
CID 64859995
5-cyclohexyl-1-(oxolan-3-ylmethyl)-2-propylpiperazine
CID 64860188
5-cyclopropyl-2-ethyl-1-[2-(oxolan-3-yl)ethyl]piperazine
CID 114129860
5-tert-butyl-2-ethyl-1-(4-methylpentyl)piperazine
CID 64941761

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-ethyl-1-(oxolan-3-ylmethyl)piperazine?
The IUPAC name of 5-tert-butyl-2-ethyl-1-(oxolan-3-ylmethyl)piperazine (CID 64843761) is 5-tert-butyl-2-ethyl-1-(oxolan-3-ylmethyl)piperazine.
What is the SMILES notation for 5-tert-butyl-2-ethyl-1-(oxolan-3-ylmethyl)piperazine?
The canonical SMILES for 5-tert-butyl-2-ethyl-1-(oxolan-3-ylmethyl)piperazine is CCC1CNC(C(C)(C)C)CN1CC1CCOC1.
What is the InChIKey of 5-tert-butyl-2-ethyl-1-(oxolan-3-ylmethyl)piperazine?
The InChIKey is KFIXYZQIPGIXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-5-13-8-16-14(15(2,3)4)10-17(13)9-12-6-7-18-11-12/h12-14,16H,5-11H2,1-4H3.
What are the key properties of 5-tert-butyl-2-ethyl-1-(oxolan-3-ylmethyl)piperazine?
5-tert-butyl-2-ethyl-1-(oxolan-3-ylmethyl)piperazine has a molecular weight of 254.42 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-ethyl-1-(oxolan-3-ylmethyl)piperazine is sourced from PubChem (CID 64843761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).