2-[(5-tert-butylpiperazin-2-yl)oxymethyl]-5-methyl-1,3,4-oxadiazolidine

C12H26N4O2 — CID 154601270

IUPAC2-[(5-tert-butylpiperazin-2-yl)oxymethyl]-5-methyl-1,3,4-oxadiazolidine
SMILESCC1NNC(COC2CNC(C(C)(C)C)CN2)O1
InChIInChI=1S/C12H26N4O2/c1-8-15-16-11(18-8)7-17-10-6-13-9(5-14-10)12(2,3)4/h8-11,13-16H,5-7H2,1-4H3
InChIKeyJWWKCCCLNDQIFP-UHFFFAOYSA-N
MW258.37 g/mol
LogP-0.27
Rot. Bonds3

About 2-[(5-tert-butylpiperazin-2-yl)oxymethyl]-5-methyl-1,3,4-oxadiazolidine

2-[(5-tert-butylpiperazin-2-yl)oxymethyl]-5-methyl-1,3,4-oxadiazolidine (PubChem CID 154601270) has the molecular formula C12H26N4O2 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-[(5-tert-butylpiperazin-2-yl)oxymethyl]-5-methyl-1,3,4-oxadiazolidine.

Molecular Properties

Compound Name2-[(5-tert-butylpiperazin-2-yl)oxymethyl]-5-methyl-1,3,4-oxadiazolidine
PubChem CID154601270
Molecular FormulaC12H26N4O2
Molecular Weight258.37 g/mol
Exact Mass258.21
IUPAC Name2-[(5-tert-butylpiperazin-2-yl)oxymethyl]-5-methyl-1,3,4-oxadiazolidine
SMILESCC1NNC(COC2CNC(C(C)(C)C)CN2)O1
InChIInChI=1S/C12H26N4O2/c1-8-15-16-11(18-8)7-17-10-6-13-9(5-14-10)12(2,3)4/h8-11,13-16H,5-7H2,1-4H3
InChIKeyJWWKCCCLNDQIFP-UHFFFAOYSA-N
XLogP-0.27
TPSA66.58 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 5-0.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 154601187
2-tert-butyl-5-(2-methoxyethoxy)piperazine
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CID 154601254
2-[(5-tert-butylpiperazin-2-yl)oxymethyl]-4,5-dihydro-1,3-oxazole
CID 155004018
2-tert-butyl-5-[(2S)-pent-3-yn-2-yl]oxypiperazine
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CID 154601268
5-tert-butyl-2-(methoxymethyl)morpholine
CID 130979755
5-tert-butyl-2-methylmorpholine
CID 82280213
5-tert-butylpiperazine-2-carbonitrile
CID 154601249
2-tert-butylpyrrolidine;methane
CID 174978961
5-tert-butyl-2-methyl-1-(3-methylbutyl)piperazine
CID 64841815
5-tert-butyl-2-ethyl-1-(4-methylpent-1-yn-3-yl)piperazine
CID 114202526

Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butylpiperazin-2-yl)oxymethyl]-5-methyl-1,3,4-oxadiazolidine?
The IUPAC name of 2-[(5-tert-butylpiperazin-2-yl)oxymethyl]-5-methyl-1,3,4-oxadiazolidine (CID 154601270) is 2-[(5-tert-butylpiperazin-2-yl)oxymethyl]-5-methyl-1,3,4-oxadiazolidine.
What is the SMILES notation for 2-[(5-tert-butylpiperazin-2-yl)oxymethyl]-5-methyl-1,3,4-oxadiazolidine?
The canonical SMILES for 2-[(5-tert-butylpiperazin-2-yl)oxymethyl]-5-methyl-1,3,4-oxadiazolidine is CC1NNC(COC2CNC(C(C)(C)C)CN2)O1.
What is the InChIKey of 2-[(5-tert-butylpiperazin-2-yl)oxymethyl]-5-methyl-1,3,4-oxadiazolidine?
The InChIKey is JWWKCCCLNDQIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2/c1-8-15-16-11(18-8)7-17-10-6-13-9(5-14-10)12(2,3)4/h8-11,13-16H,5-7H2,1-4H3.
What are the key properties of 2-[(5-tert-butylpiperazin-2-yl)oxymethyl]-5-methyl-1,3,4-oxadiazolidine?
2-[(5-tert-butylpiperazin-2-yl)oxymethyl]-5-methyl-1,3,4-oxadiazolidine has a molecular weight of 258.37 g/mol, XLogP of -0.27, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butylpiperazin-2-yl)oxymethyl]-5-methyl-1,3,4-oxadiazolidine is sourced from PubChem (CID 154601270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).