2-methyl-1-(2-methyloxolan-3-yl)-5-propan-2-ylpiperazine

C13H26N2O — CID 82736442

IUPAC2-methyl-1-(2-methyloxolan-3-yl)-5-propan-2-ylpiperazine
SMILESCC(C)C1CN(C2CCOC2C)C(C)CN1
InChIInChI=1S/C13H26N2O/c1-9(2)12-8-15(10(3)7-14-12)13-5-6-16-11(13)4/h9-14H,5-8H2,1-4H3
InChIKeyITTBBYPSQQOMLY-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.48
Rot. Bonds2

About 2-methyl-1-(2-methyloxolan-3-yl)-5-propan-2-ylpiperazine

2-methyl-1-(2-methyloxolan-3-yl)-5-propan-2-ylpiperazine (PubChem CID 82736442) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-methyl-1-(2-methyloxolan-3-yl)-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name2-methyl-1-(2-methyloxolan-3-yl)-5-propan-2-ylpiperazine
PubChem CID82736442
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-methyl-1-(2-methyloxolan-3-yl)-5-propan-2-ylpiperazine
SMILESCC(C)C1CN(C2CCOC2C)C(C)CN1
InChIInChI=1S/C13H26N2O/c1-9(2)12-8-15(10(3)7-14-12)13-5-6-16-11(13)4/h9-14H,5-8H2,1-4H3
InChIKeyITTBBYPSQQOMLY-UHFFFAOYSA-N
XLogP1.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethylcyclopropyl)-2-methyl-5-propan-2-ylpiperazine
CID 64939302
1-(2-methyloxolan-3-yl)-2-propan-2-yl-5-propylpiperazine
CID 82737019
2-ethyl-1-[(2-methyloxolan-3-yl)methyl]-5-propan-2-ylpiperazine
CID 114106374
1-cyclopropyl-2,5-di(propan-2-yl)piperazine
CID 64954463
2-methyl-5-propan-2-yl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine
CID 64939119
4-(2-methyloxolan-3-yl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 82736919
5-butan-2-yl-1-cyclopropyl-2-methylpiperazine
CID 64954275
5-propan-2-yl-1,4-oxazepane-2-carbonitrile
CID 106352707
2-(2-methyloxolan-3-yl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 82737587
5-tert-butyl-2-ethyl-1-(2-methyloxolan-3-yl)piperazine
CID 82737366
2-methyl-1-(2-methyloxan-4-yl)-5-(2-methylpropyl)piperazine
CID 114109435
1-(2,3-dimethylcyclopentyl)-2-ethyl-5-propan-2-ylpiperazine
CID 64937652

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyloxolan-3-yl)-5-propan-2-ylpiperazine?
The IUPAC name of 2-methyl-1-(2-methyloxolan-3-yl)-5-propan-2-ylpiperazine (CID 82736442) is 2-methyl-1-(2-methyloxolan-3-yl)-5-propan-2-ylpiperazine.
What is the SMILES notation for 2-methyl-1-(2-methyloxolan-3-yl)-5-propan-2-ylpiperazine?
The canonical SMILES for 2-methyl-1-(2-methyloxolan-3-yl)-5-propan-2-ylpiperazine is CC(C)C1CN(C2CCOC2C)C(C)CN1.
What is the InChIKey of 2-methyl-1-(2-methyloxolan-3-yl)-5-propan-2-ylpiperazine?
The InChIKey is ITTBBYPSQQOMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-9(2)12-8-15(10(3)7-14-12)13-5-6-16-11(13)4/h9-14H,5-8H2,1-4H3.
What are the key properties of 2-methyl-1-(2-methyloxolan-3-yl)-5-propan-2-ylpiperazine?
2-methyl-1-(2-methyloxolan-3-yl)-5-propan-2-ylpiperazine has a molecular weight of 226.36 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyloxolan-3-yl)-5-propan-2-ylpiperazine is sourced from PubChem (CID 82736442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).