4-Tert-butyl-1-(prop-2-ynyl)piperidine

HCID 12799862CAS 81613-62-9
Substructure searchFind similar structures

Basic information

Standard SMILES
C#CCN1CCC(C(C)(C)C)CC1
InChIKey
MJIAWJINANGQPX-UHFFFAOYSA-N
Molecular formula
C12H21N
Average molar mass
179.3 g/mol
Monoisotopic mass
179.16739967

Names & identifiers

Preferred name
4-Tert-butyl-1-(prop-2-ynyl)piperidine
IUPAC
4-tert-butyl-1-prop-2-ynylpiperidine

Names & synonyms

4-tert-butyl-1-(prop-2-ynyl)piperidine81613-62-9SCHEMBL11170278MJIAWJINANGQPX-UHFFFAOYSA-NDTXSID301232972AKOS0113708594-tert-Butyl-1-(prop-2-yn-1-yl)piperidine4-(1,1-Dimethylethyl)-1-(2-propyn-1-yl)piperidine

Database identifiers

CAS
81613-62-9
PubChem CID
12799862
DTXSID
DTXSID301232972

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
3.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
13

Related reactions

4 records
New reaction record

Linked notes

Loading…