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

C14H28N2O — CID 64845762

IUPAC2-tert-butyl-5-methyl-1-(oxolan-3-ylmethyl)piperazine
SMILESCC1CN(CC2CCOC2)C(C(C)(C)C)CN1
InChIInChI=1S/C14H28N2O/c1-11-8-16(9-12-5-6-17-10-12)13(7-15-11)14(2,3)4/h11-13,15H,5-10H2,1-4H3
InChIKeyTZNCYFRJHUMXSQ-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.73
Rot. Bonds2

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

2-tert-butyl-5-methyl-1-(oxolan-3-ylmethyl)piperazine (PubChem CID 64845762) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-1-(oxolan-3-ylmethyl)piperazine.

Molecular Properties

Compound Name2-tert-butyl-5-methyl-1-(oxolan-3-ylmethyl)piperazine
PubChem CID64845762
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-tert-butyl-5-methyl-1-(oxolan-3-ylmethyl)piperazine
SMILESCC1CN(CC2CCOC2)C(C(C)(C)C)CN1
InChIInChI=1S/C14H28N2O/c1-11-8-16(9-12-5-6-17-10-12)13(7-15-11)14(2,3)4/h11-13,15H,5-10H2,1-4H3
InChIKeyTZNCYFRJHUMXSQ-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-tert-butyl-9-(oxolan-3-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64877579
5-tert-butyl-2-ethyl-1-(oxolan-3-ylmethyl)piperazine
CID 64843761
2-tert-butyl-5-methyl-1-(2-methylpropyl)piperazine
CID 64844981
2-tert-butyl-1-(3,3-dimethylbutyl)-5-methylpiperazine
CID 64845180
5-cyclopropyl-2-methyl-1-(oxolan-3-ylmethyl)piperazine
CID 64860286
2-tert-butyl-5-methyl-1-[3-(oxolan-2-yl)propyl]piperazine
CID 65170275
5-tert-butyl-2-cyclopropyl-2-methyl-1-(oxolan-3-ylmethyl)piperazine
CID 64842063
2-tert-butyl-5-methyl-1-pentylpiperazine
CID 64844984
2-tert-butyl-5-methyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64845759
2-tert-butyl-5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 112592038
2-methyl-1-(oxolan-3-ylmethyl)-5-propylpiperazine
CID 64846758
2-tert-butyl-1-(cyclopropylmethyl)-5-propylpiperazine
CID 64838594

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methyl-1-(oxolan-3-ylmethyl)piperazine?
The IUPAC name of 2-tert-butyl-5-methyl-1-(oxolan-3-ylmethyl)piperazine (CID 64845762) is 2-tert-butyl-5-methyl-1-(oxolan-3-ylmethyl)piperazine.
What is the SMILES notation for 2-tert-butyl-5-methyl-1-(oxolan-3-ylmethyl)piperazine?
The canonical SMILES for 2-tert-butyl-5-methyl-1-(oxolan-3-ylmethyl)piperazine is CC1CN(CC2CCOC2)C(C(C)(C)C)CN1.
What is the InChIKey of 2-tert-butyl-5-methyl-1-(oxolan-3-ylmethyl)piperazine?
The InChIKey is TZNCYFRJHUMXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11-8-16(9-12-5-6-17-10-12)13(7-15-11)14(2,3)4/h11-13,15H,5-10H2,1-4H3.
What are the key properties of 2-tert-butyl-5-methyl-1-(oxolan-3-ylmethyl)piperazine?
2-tert-butyl-5-methyl-1-(oxolan-3-ylmethyl)piperazine has a molecular weight of 240.39 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methyl-1-(oxolan-3-ylmethyl)piperazine is sourced from PubChem (CID 64845762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).