2-Methyl-1-(2-propynyl)piperidine

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Basic information

CAS: 77975-77-0
Standard SMILES: C#CCN1CCCCC1C
InChIKey: CJYFVZDSVBOMKK-UHFFFAOYSA-N
Molecular formula: C9H15N
Average molar mass: 137.22 g/mol
Monoisotopic mass: 137.12044948

Names & identifiers

Preferred name: 2-Methyl-1-(2-propynyl)piperidine
IUPAC: 2-methyl-1-prop-2-ynylpiperidine

Names & synonyms

2-methyl-1-(prop-2-yn-1-yl)piperidine77975-77-02-Methyl-1-(2-propynyl)piperidineN-(2-Propynyl)-2-methylpiperidineSCHEMBL12873386CJYFVZDSVBOMKK-UHFFFAOYSA-DTXSID30342142AKOS0090286932-Methyl-1-(2-propynyl)piperidine #(+/-)-2-methyl-1-prop-2-ynyl-piperidineEN300-691850InChI=1/C9H15N/c1-3-7-10-8-5-4-6-9(10)2/h1,9H,4-8H2,2H3

Database identifiers

CAS: 77975-77-0
PubChem CID: 578963
DTXSID: DTXSID30342142

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 3.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 142

Related reactions

2 records

New reaction record

HRID 1553858As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1808695As productuspto-grants-2013_01

Compound notes

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