(2R,3R)-2,3-bis[(1E)-penta-1,4-dienyl]piperazine

C14H22N2 — CID 134925876

IUPAC(2R,3R)-2,3-bis[(1E)-penta-1,4-dienyl]piperazine
SMILESC=CC/C=C/[C@H]1NCCN[C@@H]1/C=C/CC=C
InChIInChI=1S/C14H22N2/c1-3-5-7-9-13-14(10-8-6-4-2)16-12-11-15-13/h3-4,7-10,13-16H,1-2,5-6,11-12H2/b9-7+,10-8+/t13-,14-/m1/s1
InChIKeyVGCCQBHRYKEIIV-JPSXRDQDSA-N
MW218.34 g/mol
LogP2.18
Rot. Bonds6

About (2R,3R)-2,3-bis[(1E)-penta-1,4-dienyl]piperazine

(2R,3R)-2,3-bis[(1E)-penta-1,4-dienyl]piperazine (PubChem CID 134925876) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is (2R,3R)-2,3-bis[(1E)-penta-1,4-dienyl]piperazine.

Molecular Properties

Compound Name(2R,3R)-2,3-bis[(1E)-penta-1,4-dienyl]piperazine
PubChem CID134925876
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name(2R,3R)-2,3-bis[(1E)-penta-1,4-dienyl]piperazine
SMILESC=CC/C=C/[C@H]1NCCN[C@@H]1/C=C/CC=C
InChIInChI=1S/C14H22N2/c1-3-5-7-9-13-14(10-8-6-4-2)16-12-11-15-13/h3-4,7-10,13-16H,1-2,5-6,11-12H2/b9-7+,10-8+/t13-,14-/m1/s1
InChIKeyVGCCQBHRYKEIIV-JPSXRDQDSA-N
XLogP2.18
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

rac-(2R,6R)-2,6-diallyl-1,2,3,6-tetrahydropyridine
CID 2832191
(2R,6R)-2,6-Diallyl-1,2,3,6-tetrahydropyridine hydrochloride
CID 6353401
3,9-Diazabicyclo[3,3,1]non-6-ene
CID 67239375
1-(6-Fluorocyclohexa-2,4-dien-1-yl)piperazine
CID 67558052
1-(2-Fluoronona-3,6-dien-5-yl)piperazine
CID 123142512
(2S,3R,5R)-2-methyl-3-[(Z)-3-methylbut-1-enyl]-5-(trifluoromethyl)piperazine
CID 163486244
(2S,6R)-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine
CID 1380951
cis-2,6-Diallyl-1,2,5,6-tetrahydropyridine
CID 1380952
(2R,6R)-2,6-Di(prop-2-en-1-yl)-1,2,3,6-tetrahydropyridine
CID 1795249
(2S,6S)-2,6-Diallyl-1,2,3,6-tetrahydropyridine hydrochloride
CID 16464266
(2R,3R)-2,3-bis(2-methylprop-1-enyl)piperazine
CID 96014881
trans-2,6-Diallyl-5-deutero-1,2,5,6-tetrahydropyridine
CID 129801536

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-bis[(1E)-penta-1,4-dienyl]piperazine?
The IUPAC name of (2R,3R)-2,3-bis[(1E)-penta-1,4-dienyl]piperazine (CID 134925876) is (2R,3R)-2,3-bis[(1E)-penta-1,4-dienyl]piperazine.
What is the SMILES notation for (2R,3R)-2,3-bis[(1E)-penta-1,4-dienyl]piperazine?
The canonical SMILES for (2R,3R)-2,3-bis[(1E)-penta-1,4-dienyl]piperazine is C=CC/C=C/[C@H]1NCCN[C@@H]1/C=C/CC=C.
What is the InChIKey of (2R,3R)-2,3-bis[(1E)-penta-1,4-dienyl]piperazine?
The InChIKey is VGCCQBHRYKEIIV-JPSXRDQDSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-5-7-9-13-14(10-8-6-4-2)16-12-11-15-13/h3-4,7-10,13-16H,1-2,5-6,11-12H2/b9-7+,10-8+/t13-,14-/m1/s1.
What are the key properties of (2R,3R)-2,3-bis[(1E)-penta-1,4-dienyl]piperazine?
(2R,3R)-2,3-bis[(1E)-penta-1,4-dienyl]piperazine has a molecular weight of 218.34 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-bis[(1E)-penta-1,4-dienyl]piperazine is sourced from PubChem (CID 134925876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).