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

C10H18N2 — CID 134994271

IUPAC(2R,3R)-2,3-bis[(E)-prop-1-enyl]piperazine
SMILESC/C=C/[C@H]1NCCN[C@@H]1/C=C/C
InChIInChI=1S/C10H18N2/c1-3-5-9-10(6-4-2)12-8-7-11-9/h3-6,9-12H,7-8H2,1-2H3/b5-3+,6-4+/t9-,10-/m1/s1
InChIKeyMIXCFLCZVJRZOP-BNCPEGEKSA-N
MW166.27 g/mol
LogP1.07
Rot. Bonds2

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

(2R,3R)-2,3-bis[(E)-prop-1-enyl]piperazine (PubChem CID 134994271) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (2R,3R)-2,3-bis[(E)-prop-1-enyl]piperazine.

Molecular Properties

Compound Name(2R,3R)-2,3-bis[(E)-prop-1-enyl]piperazine
PubChem CID134994271
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(2R,3R)-2,3-bis[(E)-prop-1-enyl]piperazine
SMILESC/C=C/[C@H]1NCCN[C@@H]1/C=C/C
InChIInChI=1S/C10H18N2/c1-3-5-9-10(6-4-2)12-8-7-11-9/h3-6,9-12H,7-8H2,1-2H3/b5-3+,6-4+/t9-,10-/m1/s1
InChIKeyMIXCFLCZVJRZOP-BNCPEGEKSA-N
XLogP1.07
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.07
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)-prop-1-enyl]piperazine?
The IUPAC name of (2R,3R)-2,3-bis[(E)-prop-1-enyl]piperazine (CID 134994271) is (2R,3R)-2,3-bis[(E)-prop-1-enyl]piperazine.
What is the SMILES notation for (2R,3R)-2,3-bis[(E)-prop-1-enyl]piperazine?
The canonical SMILES for (2R,3R)-2,3-bis[(E)-prop-1-enyl]piperazine is C/C=C/[C@H]1NCCN[C@@H]1/C=C/C.
What is the InChIKey of (2R,3R)-2,3-bis[(E)-prop-1-enyl]piperazine?
The InChIKey is MIXCFLCZVJRZOP-BNCPEGEKSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-5-9-10(6-4-2)12-8-7-11-9/h3-6,9-12H,7-8H2,1-2H3/b5-3+,6-4+/t9-,10-/m1/s1.
What are the key properties of (2R,3R)-2,3-bis[(E)-prop-1-enyl]piperazine?
(2R,3R)-2,3-bis[(E)-prop-1-enyl]piperazine has a molecular weight of 166.27 g/mol, XLogP of 1.07, 2 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)-prop-1-enyl]piperazine is sourced from PubChem (CID 134994271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).