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

C16H26N2 — CID 134993990

IUPAC(2R,3R)-2,3-bis[(1E)-2-methylpenta-1,4-dienyl]piperazine
SMILESC=CC/C(C)=C/[C@H]1NCCN[C@@H]1/C=C(\C)CC=C
InChIInChI=1S/C16H26N2/c1-5-7-13(3)11-15-16(18-10-9-17-15)12-14(4)8-6-2/h5-6,11-12,15-18H,1-2,7-10H2,3-4H3/b13-11+,14-12+/t15-,16-/m1/s1
InChIKeyDHEJQPJEENWNAP-KWWKBFPYSA-N
MW246.40 g/mol
LogP2.96
Rot. Bonds6

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

(2R,3R)-2,3-bis[(1E)-2-methylpenta-1,4-dienyl]piperazine (PubChem CID 134993990) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is (2R,3R)-2,3-bis[(1E)-2-methylpenta-1,4-dienyl]piperazine.

Molecular Properties

Compound Name(2R,3R)-2,3-bis[(1E)-2-methylpenta-1,4-dienyl]piperazine
PubChem CID134993990
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name(2R,3R)-2,3-bis[(1E)-2-methylpenta-1,4-dienyl]piperazine
SMILESC=CC/C(C)=C/[C@H]1NCCN[C@@H]1/C=C(\C)CC=C
InChIInChI=1S/C16H26N2/c1-5-7-13(3)11-15-16(18-10-9-17-15)12-14(4)8-6-2/h5-6,11-12,15-18H,1-2,7-10H2,3-4H3/b13-11+,14-12+/t15-,16-/m1/s1
InChIKeyDHEJQPJEENWNAP-KWWKBFPYSA-N
XLogP2.96
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.96
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

6,10-dimethyl-N-(2-piperazin-1-ylethyl)undeca-5,9-dien-2-amine
CID 659118
(E)-6,10-dimethyl-N-(2-(piperazin-1-yl)ethyl)undeca-5,9-dien-2-amine
CID 5389110
Piperazine, 1-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-
CID 6445849
1-piperidineethanamine, N-[(2E)-3,7-dimethyl-2,6-octadienyl]-2-ethyl-
CID 6482274
(6Z)-N-[3-[4-(3-aminopropyl)piperazin-1-yl]propyl]-3,7,11-trimethyldodeca-2,6,10-trien-1-amine
CID 156013384
1-(3,7,11-Trimethyl-2,6,10-dodecatrienyl)piperazine
CID 3039323
Geranylpiperazine
CID 14497703
1-(3,7-Dimethylocta-2,6-dienyl)piperazine
CID 53785157
(2S,5R)-1-[(2E,3Z)-2-ethylidene-5-fluorohexa-3,5-dienyl]-2,5-dimethylpiperazine
CID 142871687
1-[(2E,4E)-5-fluoro-1-(4-fluorocyclohepta-1,3,6-trien-1-yl)-2-methylhepta-2,4,6-trienyl]piperazine
CID 143127924
(2S,3R,5R)-2-methyl-3-[(Z)-3-methylbut-1-enyl]-5-(trifluoromethyl)piperazine
CID 163486244
(2R,3R)-2,3-bis(2-methylprop-1-enyl)piperazine
CID 96014881

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-bis[(1E)-2-methylpenta-1,4-dienyl]piperazine?
The IUPAC name of (2R,3R)-2,3-bis[(1E)-2-methylpenta-1,4-dienyl]piperazine (CID 134993990) is (2R,3R)-2,3-bis[(1E)-2-methylpenta-1,4-dienyl]piperazine.
What is the SMILES notation for (2R,3R)-2,3-bis[(1E)-2-methylpenta-1,4-dienyl]piperazine?
The canonical SMILES for (2R,3R)-2,3-bis[(1E)-2-methylpenta-1,4-dienyl]piperazine is C=CC/C(C)=C/[C@H]1NCCN[C@@H]1/C=C(\C)CC=C.
What is the InChIKey of (2R,3R)-2,3-bis[(1E)-2-methylpenta-1,4-dienyl]piperazine?
The InChIKey is DHEJQPJEENWNAP-KWWKBFPYSA-N. The full InChI is InChI=1S/C16H26N2/c1-5-7-13(3)11-15-16(18-10-9-17-15)12-14(4)8-6-2/h5-6,11-12,15-18H,1-2,7-10H2,3-4H3/b13-11+,14-12+/t15-,16-/m1/s1.
What are the key properties of (2R,3R)-2,3-bis[(1E)-2-methylpenta-1,4-dienyl]piperazine?
(2R,3R)-2,3-bis[(1E)-2-methylpenta-1,4-dienyl]piperazine has a molecular weight of 246.40 g/mol, XLogP of 2.96, 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)-2-methylpenta-1,4-dienyl]piperazine is sourced from PubChem (CID 134993990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).