4-ethynyl-2,2-dimethyl-1-propan-2-ylpiperazine

C11H20N2 — CID 130399561

IUPAC4-ethynyl-2,2-dimethyl-1-propan-2-ylpiperazine
SMILESC#CN1CCN(C(C)C)C(C)(C)C1
InChIInChI=1S/C11H20N2/c1-6-12-7-8-13(10(2)3)11(4,5)9-12/h1,10H,7-9H2,2-5H3
InChIKeyGFLWPMMCPIFDIM-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.38
Rot. Bonds1

About 4-ethynyl-2,2-dimethyl-1-propan-2-ylpiperazine

4-ethynyl-2,2-dimethyl-1-propan-2-ylpiperazine (PubChem CID 130399561) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 4-ethynyl-2,2-dimethyl-1-propan-2-ylpiperazine.

Molecular Properties

Compound Name4-ethynyl-2,2-dimethyl-1-propan-2-ylpiperazine
PubChem CID130399561
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name4-ethynyl-2,2-dimethyl-1-propan-2-ylpiperazine
SMILESC#CN1CCN(C(C)C)C(C)(C)C1
InChIInChI=1S/C11H20N2/c1-6-12-7-8-13(10(2)3)11(4,5)9-12/h1,10H,7-9H2,2-5H3
InChIKeyGFLWPMMCPIFDIM-UHFFFAOYSA-N
XLogP1.38
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.38
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

2,2,4-trimethyl-1-propan-2-ylpiperazine
CID 121368614
2,2-dimethyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]-1-propan-2-ylpiperazine
CID 121368755
3,3-dimethyl-4-propan-2-ylthiomorpholine
CID 130717092
1-ethynyl-3,3-difluoroazetidine
CID 130273842
1-ethynyl-4-methylpiperidin-4-ol
CID 143256733
1,2,2,4-tetramethyl-7-propan-2-yl-4,7-diazaspiro[2.4]heptane
CID 146182418
1-[(2R)-2-methyl-1-propan-2-ylpyrrolidin-2-yl]ethanone
CID 170366316
2,2-difluoro-1,3-di(propan-2-yl)-1,3-diazinane
CID 139944450
(2R)-2-methyl-1,2-di(propan-2-yl)azetidine
CID 170383995
6-ethynyl-2,6-diazaspiro[3.4]octane
CID 129180673
3-fluoro-3-methyl-1-propan-2-ylazetidine;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 159989792
2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;1-propan-2-yl-6-oxa-1-azaspiro[3.3]heptane
CID 163540025

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-2,2-dimethyl-1-propan-2-ylpiperazine?
The IUPAC name of 4-ethynyl-2,2-dimethyl-1-propan-2-ylpiperazine (CID 130399561) is 4-ethynyl-2,2-dimethyl-1-propan-2-ylpiperazine.
What is the SMILES notation for 4-ethynyl-2,2-dimethyl-1-propan-2-ylpiperazine?
The canonical SMILES for 4-ethynyl-2,2-dimethyl-1-propan-2-ylpiperazine is C#CN1CCN(C(C)C)C(C)(C)C1.
What is the InChIKey of 4-ethynyl-2,2-dimethyl-1-propan-2-ylpiperazine?
The InChIKey is GFLWPMMCPIFDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-6-12-7-8-13(10(2)3)11(4,5)9-12/h1,10H,7-9H2,2-5H3.
What are the key properties of 4-ethynyl-2,2-dimethyl-1-propan-2-ylpiperazine?
4-ethynyl-2,2-dimethyl-1-propan-2-ylpiperazine has a molecular weight of 180.29 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-2,2-dimethyl-1-propan-2-ylpiperazine is sourced from PubChem (CID 130399561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).