(2R,3R)-2,3-bis[(E)-2-methylpent-1-enyl]piperazine

C16H30N2 — CID 134927425

IUPAC(2R,3R)-2,3-bis[(E)-2-methylpent-1-enyl]piperazine
SMILESCCC/C(C)=C/[C@H]1NCCN[C@@H]1/C=C(\C)CCC
InChIInChI=1S/C16H30N2/c1-5-7-13(3)11-15-16(18-10-9-17-15)12-14(4)8-6-2/h11-12,15-18H,5-10H2,1-4H3/b13-11+,14-12+/t15-,16-/m1/s1
InChIKeyGXRNVPPUFZOQSU-KWWKBFPYSA-N
MW250.43 g/mol
LogP3.41
Rot. Bonds6

About (2R,3R)-2,3-bis[(E)-2-methylpent-1-enyl]piperazine

(2R,3R)-2,3-bis[(E)-2-methylpent-1-enyl]piperazine (PubChem CID 134927425) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is (2R,3R)-2,3-bis[(E)-2-methylpent-1-enyl]piperazine.

Molecular Properties

Compound Name(2R,3R)-2,3-bis[(E)-2-methylpent-1-enyl]piperazine
PubChem CID134927425
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name(2R,3R)-2,3-bis[(E)-2-methylpent-1-enyl]piperazine
SMILESCCC/C(C)=C/[C@H]1NCCN[C@@H]1/C=C(\C)CCC
InChIInChI=1S/C16H30N2/c1-5-7-13(3)11-15-16(18-10-9-17-15)12-14(4)8-6-2/h11-12,15-18H,5-10H2,1-4H3/b13-11+,14-12+/t15-,16-/m1/s1
InChIKeyGXRNVPPUFZOQSU-KWWKBFPYSA-N
XLogP3.41
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (2R,3R)-2,3-bis[(E)-2-methylpent-1-enyl]piperazine?
The IUPAC name of (2R,3R)-2,3-bis[(E)-2-methylpent-1-enyl]piperazine (CID 134927425) is (2R,3R)-2,3-bis[(E)-2-methylpent-1-enyl]piperazine.
What is the SMILES notation for (2R,3R)-2,3-bis[(E)-2-methylpent-1-enyl]piperazine?
The canonical SMILES for (2R,3R)-2,3-bis[(E)-2-methylpent-1-enyl]piperazine is CCC/C(C)=C/[C@H]1NCCN[C@@H]1/C=C(\C)CCC.
What is the InChIKey of (2R,3R)-2,3-bis[(E)-2-methylpent-1-enyl]piperazine?
The InChIKey is GXRNVPPUFZOQSU-KWWKBFPYSA-N. The full InChI is InChI=1S/C16H30N2/c1-5-7-13(3)11-15-16(18-10-9-17-15)12-14(4)8-6-2/h11-12,15-18H,5-10H2,1-4H3/b13-11+,14-12+/t15-,16-/m1/s1.
What are the key properties of (2R,3R)-2,3-bis[(E)-2-methylpent-1-enyl]piperazine?
(2R,3R)-2,3-bis[(E)-2-methylpent-1-enyl]piperazine has a molecular weight of 250.43 g/mol, XLogP of 3.41, 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[(E)-2-methylpent-1-enyl]piperazine is sourced from PubChem (CID 134927425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).