5-tert-butyl-2-methyl-1-(oxolan-2-ylmethyl)piperazine

C14H28N2O — CID 64841812

IUPAC5-tert-butyl-2-methyl-1-(oxolan-2-ylmethyl)piperazine
SMILESCC1CNC(C(C)(C)C)CN1CC1CCCO1
InChIInChI=1S/C14H28N2O/c1-11-8-15-13(14(2,3)4)10-16(11)9-12-6-5-7-17-12/h11-13,15H,5-10H2,1-4H3
InChIKeyGBATZSSSFHVQAA-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.87
Rot. Bonds2

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

5-tert-butyl-2-methyl-1-(oxolan-2-ylmethyl)piperazine (PubChem CID 64841812) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 5-tert-butyl-2-methyl-1-(oxolan-2-ylmethyl)piperazine.

Molecular Properties

Compound Name5-tert-butyl-2-methyl-1-(oxolan-2-ylmethyl)piperazine
PubChem CID64841812
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name5-tert-butyl-2-methyl-1-(oxolan-2-ylmethyl)piperazine
SMILESCC1CNC(C(C)(C)C)CN1CC1CCCO1
InChIInChI=1S/C14H28N2O/c1-11-8-15-13(14(2,3)4)10-16(11)9-12-6-5-7-17-12/h11-13,15H,5-10H2,1-4H3
InChIKeyGBATZSSSFHVQAA-UHFFFAOYSA-N
XLogP1.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine
CID 64947681
3-cyclopropyl-7-methyl-1-(oxolan-2-ylmethyl)-1,4-diazepane
CID 64871612
5-tert-butyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylpiperazine
CID 64933802
5-tert-butyl-2-methyl-1-(3-methylbutyl)piperazine
CID 64841815
2-tert-butyl-5,5-dimethyl-1-(oxolan-2-ylmethyl)piperazine
CID 64839542
5-tert-butyl-1-heptyl-2-methylpiperazine
CID 64841619
(1R,4S)-2-[[(2S)-oxolan-2-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane
CID 99987690
5-tert-butyl-1-[(1-ethylcyclobutyl)methyl]-2-methylpiperazine
CID 114109452
1-(oxolan-2-ylmethyl)-2,5-di(propan-2-yl)piperazine
CID 64839224
5-tert-butyl-1-(2-ethoxy-2-methylpropyl)-2-methylpiperazine
CID 114944393
5-butan-2-yl-2-tert-butyl-1-(oxan-2-ylmethyl)piperazine
CID 64847284
5-tert-butyl-2-ethyl-1-(oxan-3-ylmethyl)piperazine
CID 64945973

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methyl-1-(oxolan-2-ylmethyl)piperazine?
The IUPAC name of 5-tert-butyl-2-methyl-1-(oxolan-2-ylmethyl)piperazine (CID 64841812) is 5-tert-butyl-2-methyl-1-(oxolan-2-ylmethyl)piperazine.
What is the SMILES notation for 5-tert-butyl-2-methyl-1-(oxolan-2-ylmethyl)piperazine?
The canonical SMILES for 5-tert-butyl-2-methyl-1-(oxolan-2-ylmethyl)piperazine is CC1CNC(C(C)(C)C)CN1CC1CCCO1.
What is the InChIKey of 5-tert-butyl-2-methyl-1-(oxolan-2-ylmethyl)piperazine?
The InChIKey is GBATZSSSFHVQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11-8-15-13(14(2,3)4)10-16(11)9-12-6-5-7-17-12/h11-13,15H,5-10H2,1-4H3.
What are the key properties of 5-tert-butyl-2-methyl-1-(oxolan-2-ylmethyl)piperazine?
5-tert-butyl-2-methyl-1-(oxolan-2-ylmethyl)piperazine has a molecular weight of 240.39 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methyl-1-(oxolan-2-ylmethyl)piperazine is sourced from PubChem (CID 64841812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).