(2R)-1-ethynyl-4-methyl-2-propan-2-ylpiperazine

C10H18N2 — CID 167652259

IUPAC(2R)-1-ethynyl-4-methyl-2-propan-2-ylpiperazine
SMILESC#CN1CCN(C)C[C@H]1C(C)C
InChIInChI=1S/C10H18N2/c1-5-12-7-6-11(4)8-10(12)9(2)3/h1,9-10H,6-8H2,2-4H3/t10-/m0/s1
InChIKeyCLFOUFUFOAAIAF-JTQLQIEISA-N
MW166.27 g/mol
LogP0.85
Rot. Bonds1

About (2R)-1-ethynyl-4-methyl-2-propan-2-ylpiperazine

(2R)-1-ethynyl-4-methyl-2-propan-2-ylpiperazine (PubChem CID 167652259) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (2R)-1-ethynyl-4-methyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name(2R)-1-ethynyl-4-methyl-2-propan-2-ylpiperazine
PubChem CID167652259
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(2R)-1-ethynyl-4-methyl-2-propan-2-ylpiperazine
SMILESC#CN1CCN(C)C[C@H]1C(C)C
InChIInChI=1S/C10H18N2/c1-5-12-7-6-11(4)8-10(12)9(2)3/h1,9-10H,6-8H2,2-4H3/t10-/m0/s1
InChIKeyCLFOUFUFOAAIAF-JTQLQIEISA-N
XLogP0.85
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-methyl-1,2-di(propan-2-yl)piperazine
CID 58964341
1-ethynyl-4-methyl-2-propan-2-ylpyrrolidine
CID 167643568
ethane;N,N,4-trimethyl-2-propan-2-ylpiperazine-1-carboxamide
CID 177202720
(2R)-1-methyl-2-propan-2-ylaziridine
CID 140882357
1-(1,4-dimethylpiperazin-2-yl)-N-ethylprop-2-yn-1-amine
CID 79659606
(1S,5R)-3-ethynyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 167605728
1-(1,4-dimethylpiperazin-2-yl)-2-methylpropan-1-amine
CID 79659665
(1R,5S)-3-ethynyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 167586217
(3R)-1-ethynyl-3-methyl-2-propan-2-ylazetidine
CID 167693917
1-ethyl-2-(1-methoxyethyl)-4-methylpiperazine
CID 175342115
3-ethynyl-2-propan-2-yl-3-azabicyclo[3.2.0]heptane
CID 167620185
1-ethynyl-4-[(2-methylpropan-2-yl)oxy]-2-propan-2-ylpyrrolidine
CID 167692130

Frequently Asked Questions

What is the IUPAC name of (2R)-1-ethynyl-4-methyl-2-propan-2-ylpiperazine?
The IUPAC name of (2R)-1-ethynyl-4-methyl-2-propan-2-ylpiperazine (CID 167652259) is (2R)-1-ethynyl-4-methyl-2-propan-2-ylpiperazine.
What is the SMILES notation for (2R)-1-ethynyl-4-methyl-2-propan-2-ylpiperazine?
The canonical SMILES for (2R)-1-ethynyl-4-methyl-2-propan-2-ylpiperazine is C#CN1CCN(C)C[C@H]1C(C)C.
What is the InChIKey of (2R)-1-ethynyl-4-methyl-2-propan-2-ylpiperazine?
The InChIKey is CLFOUFUFOAAIAF-JTQLQIEISA-N. The full InChI is InChI=1S/C10H18N2/c1-5-12-7-6-11(4)8-10(12)9(2)3/h1,9-10H,6-8H2,2-4H3/t10-/m0/s1.
What are the key properties of (2R)-1-ethynyl-4-methyl-2-propan-2-ylpiperazine?
(2R)-1-ethynyl-4-methyl-2-propan-2-ylpiperazine has a molecular weight of 166.27 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-ethynyl-4-methyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 167652259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).