2-tert-butyl-5-methyl-1-[3-(oxolan-2-yl)propyl]piperazine

C16H32N2O — CID 65170275

IUPAC2-tert-butyl-5-methyl-1-[3-(oxolan-2-yl)propyl]piperazine
SMILESCC1CN(CCCC2CCCO2)C(C(C)(C)C)CN1
InChIInChI=1S/C16H32N2O/c1-13-12-18(15(11-17-13)16(2,3)4)9-5-7-14-8-6-10-19-14/h13-15,17H,5-12H2,1-4H3
InChIKeyTUARIPDOLXUPLR-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.65
Rot. Bonds4

About 2-tert-butyl-5-methyl-1-[3-(oxolan-2-yl)propyl]piperazine

2-tert-butyl-5-methyl-1-[3-(oxolan-2-yl)propyl]piperazine (PubChem CID 65170275) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-1-[3-(oxolan-2-yl)propyl]piperazine.

Molecular Properties

Compound Name2-tert-butyl-5-methyl-1-[3-(oxolan-2-yl)propyl]piperazine
PubChem CID65170275
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name2-tert-butyl-5-methyl-1-[3-(oxolan-2-yl)propyl]piperazine
SMILESCC1CN(CCCC2CCCO2)C(C(C)(C)C)CN1
InChIInChI=1S/C16H32N2O/c1-13-12-18(15(11-17-13)16(2,3)4)9-5-7-14-8-6-10-19-14/h13-15,17H,5-12H2,1-4H3
InChIKeyTUARIPDOLXUPLR-UHFFFAOYSA-N
XLogP2.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-5-methyl-1-pentylpiperazine
CID 64844984
2-tert-butyl-5-methyl-1-(oxolan-3-ylmethyl)piperazine
CID 64845762
2-(bromomethyl)-5-methyl-4-[3-(oxolan-2-yl)propyl]morpholine
CID 81209803
2-tert-butyl-5-cyclopropyl-5-methyl-1-[2-(oxolan-2-yl)ethyl]piperazine
CID 65170537
2-tert-butyl-5-methyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64844009
2-tert-butyl-5-methyl-1-(2-methylpropyl)piperazine
CID 64844981
3-methyl-1-[3-(oxolan-2-yl)propyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 79908559
5-tert-butyl-1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine
CID 64947681
3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine
CID 65162323
6-tert-butyl-3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
CID 65170198
2-(bromomethyl)-3-methyl-1-[3-(oxolan-2-yl)propyl]pyrrolidine
CID 102785673
5-tert-butyl-2-methyl-1-(oxolan-2-ylmethyl)piperazine
CID 64841812

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methyl-1-[3-(oxolan-2-yl)propyl]piperazine?
The IUPAC name of 2-tert-butyl-5-methyl-1-[3-(oxolan-2-yl)propyl]piperazine (CID 65170275) is 2-tert-butyl-5-methyl-1-[3-(oxolan-2-yl)propyl]piperazine.
What is the SMILES notation for 2-tert-butyl-5-methyl-1-[3-(oxolan-2-yl)propyl]piperazine?
The canonical SMILES for 2-tert-butyl-5-methyl-1-[3-(oxolan-2-yl)propyl]piperazine is CC1CN(CCCC2CCCO2)C(C(C)(C)C)CN1.
What is the InChIKey of 2-tert-butyl-5-methyl-1-[3-(oxolan-2-yl)propyl]piperazine?
The InChIKey is TUARIPDOLXUPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-13-12-18(15(11-17-13)16(2,3)4)9-5-7-14-8-6-10-19-14/h13-15,17H,5-12H2,1-4H3.
What are the key properties of 2-tert-butyl-5-methyl-1-[3-(oxolan-2-yl)propyl]piperazine?
2-tert-butyl-5-methyl-1-[3-(oxolan-2-yl)propyl]piperazine has a molecular weight of 268.44 g/mol, XLogP of 2.65, 4 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-[3-(oxolan-2-yl)propyl]piperazine is sourced from PubChem (CID 65170275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).