1,3,4-tris(prop-2-enyl)piperidine

C14H23N — CID 118117546

IUPAC1,3,4-tris(prop-2-enyl)piperidine
SMILESC=CCC1CCN(CC=C)CC1CC=C
InChIInChI=1S/C14H23N/c1-4-7-13-9-11-15(10-6-3)12-14(13)8-5-2/h4-6,13-14H,1-3,7-12H2
InChIKeyIBLFZGKDRKLWGN-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.26
Rot. Bonds6

About 1,3,4-tris(prop-2-enyl)piperidine

1,3,4-tris(prop-2-enyl)piperidine (PubChem CID 118117546) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 1,3,4-tris(prop-2-enyl)piperidine.

Molecular Properties

Compound Name1,3,4-tris(prop-2-enyl)piperidine
PubChem CID118117546
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name1,3,4-tris(prop-2-enyl)piperidine
SMILESC=CCC1CCN(CC=C)CC1CC=C
InChIInChI=1S/C14H23N/c1-4-7-13-9-11-15(10-6-3)12-14(13)8-5-2/h4-6,13-14H,1-3,7-12H2
InChIKeyIBLFZGKDRKLWGN-UHFFFAOYSA-N
XLogP3.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,4-tris(prop-2-enyl)piperidine?
The IUPAC name of 1,3,4-tris(prop-2-enyl)piperidine (CID 118117546) is 1,3,4-tris(prop-2-enyl)piperidine.
What is the SMILES notation for 1,3,4-tris(prop-2-enyl)piperidine?
The canonical SMILES for 1,3,4-tris(prop-2-enyl)piperidine is C=CCC1CCN(CC=C)CC1CC=C.
What is the InChIKey of 1,3,4-tris(prop-2-enyl)piperidine?
The InChIKey is IBLFZGKDRKLWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-4-7-13-9-11-15(10-6-3)12-14(13)8-5-2/h4-6,13-14H,1-3,7-12H2.
What are the key properties of 1,3,4-tris(prop-2-enyl)piperidine?
1,3,4-tris(prop-2-enyl)piperidine has a molecular weight of 205.34 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-tris(prop-2-enyl)piperidine is sourced from PubChem (CID 118117546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).