1-(12-piperidin-1-yldodeca-2,10-dienyl)piperidine

C22H40N2 — CID 142761179

IUPAC1-(12-piperidin-1-yldodeca-2,10-dienyl)piperidine
SMILESC(=CCN1CCCCC1)CCCCCCC=CCN1CCCCC1
InChIInChI=1S/C22H40N2/c1(3-5-7-11-17-23-19-13-9-14-20-23)2-4-6-8-12-18-24-21-15-10-16-22-24/h7-8,11-12H,1-6,9-10,13-22H2
InChIKeyGEFZHXTWILINAP-UHFFFAOYSA-N
MW332.58 g/mol
LogP5.41
Rot. Bonds11

About 1-(12-piperidin-1-yldodeca-2,10-dienyl)piperidine

1-(12-piperidin-1-yldodeca-2,10-dienyl)piperidine (PubChem CID 142761179) has the molecular formula C22H40N2 and a molecular weight of 332.58 g/mol. Its IUPAC name is 1-(12-piperidin-1-yldodeca-2,10-dienyl)piperidine.

Molecular Properties

Compound Name1-(12-piperidin-1-yldodeca-2,10-dienyl)piperidine
PubChem CID142761179
Molecular FormulaC22H40N2
Molecular Weight332.58 g/mol
Exact Mass332.32
IUPAC Name1-(12-piperidin-1-yldodeca-2,10-dienyl)piperidine
SMILESC(=CCN1CCCCC1)CCCCCCC=CCN1CCCCC1
InChIInChI=1S/C22H40N2/c1(3-5-7-11-17-23-19-13-9-14-20-23)2-4-6-8-12-18-24-21-15-10-16-22-24/h7-8,11-12H,1-6,9-10,13-22H2
InChIKeyGEFZHXTWILINAP-UHFFFAOYSA-N
XLogP5.41
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.58
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Neopetrosiamine A
CID 49765082
Xestoproxamine A, (rel)-
CID 52937691
Xestoproxamine B, (rel)-
CID 52937783
haliclamine A
CID 10389182
1,15-Diazatricyclo[25.3.1.111,15]dotriaconta-11,27-diene
CID 11247733
1,16-Diazatricyclo[26.3.1.112,16]tritriaconta-12,28-diene
CID 11259619
1,15-Diazatricyclo[24.3.1.111,15]hentriaconta-11,26-diene
CID 44191785
(12R,13S,27S,29S)-1,16-diazatetracyclo[25.3.1.112,16.013,29]dotriacont-23-ene
CID 122201739
(12R,13S,27S,29S)-1,16-diazatetracyclo[25.3.1.112,16.013,29]dotriaconta-8,23-diene
CID 163003985
Petriosamine A
CID 54612745
1-Icosa-2,4,15-trienylpiperidine
CID 123282793
1-Octadeca-2,4,13-trienylpiperidine
CID 123654235

Frequently Asked Questions

What is the IUPAC name of 1-(12-piperidin-1-yldodeca-2,10-dienyl)piperidine?
The IUPAC name of 1-(12-piperidin-1-yldodeca-2,10-dienyl)piperidine (CID 142761179) is 1-(12-piperidin-1-yldodeca-2,10-dienyl)piperidine.
What is the SMILES notation for 1-(12-piperidin-1-yldodeca-2,10-dienyl)piperidine?
The canonical SMILES for 1-(12-piperidin-1-yldodeca-2,10-dienyl)piperidine is C(=CCN1CCCCC1)CCCCCCC=CCN1CCCCC1.
What is the InChIKey of 1-(12-piperidin-1-yldodeca-2,10-dienyl)piperidine?
The InChIKey is GEFZHXTWILINAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2/c1(3-5-7-11-17-23-19-13-9-14-20-23)2-4-6-8-12-18-24-21-15-10-16-22-24/h7-8,11-12H,1-6,9-10,13-22H2.
What are the key properties of 1-(12-piperidin-1-yldodeca-2,10-dienyl)piperidine?
1-(12-piperidin-1-yldodeca-2,10-dienyl)piperidine has a molecular weight of 332.58 g/mol, XLogP of 5.41, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(12-piperidin-1-yldodeca-2,10-dienyl)piperidine is sourced from PubChem (CID 142761179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).