1-(Prop-2-YN-1-YL)-4-(propan-2-YL)piperazine

HCID 58366557

Notes Reactions

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Basic information

Standard SMILES: C#CCN1CCN(C(C)C)CC1
InChIKey: FEJYDTKOWHSZCE-UHFFFAOYSA-N
Molecular formula: C10H18N2
Average molar mass: 166.26 g/mol

Names & identifiers

Preferred name: 1-(Prop-2-YN-1-YL)-4-(propan-2-YL)piperazine
IUPAC: 1-propan-2-yl-4-prop-2-ynylpiperazine

Names & synonyms

1-(PROP-2-YN-1-YL)-4-(PROPAN-2-YL)PIPERAZINE1171044-29-3SCHEMBL3660714FEJYDTKOWHSZCE-UHFFFAOYSA-NAKOS0094633061-isopropyl-4-(prop-2-ynyl)piperazineEN300-360029

Database identifiers

PubChem CID: 58366557

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 6.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 170

Related reactions

5 records

New reaction record

HRID 108437As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 1798511As reactantuspto-grants-2013_01

HRID 1798518As reactantuspto-grants-2013_01

HRID 1798540As reactantuspto-grants-2013_01

HRID 1798554As productuspto-grants-2013_01

Compound notes

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