1-piperazin-1-yl-N-[(E)-prop-1-enyl]methanimine

C8H15N3 — CID 118489766

IUPAC1-piperazin-1-yl-N-[(E)-prop-1-enyl]methanimine
SMILESC/C=C/N=C/N1CCNCC1
InChIInChI=1S/C8H15N3/c1-2-3-10-8-11-6-4-9-5-7-11/h2-3,8-9H,4-7H2,1H3/b3-2+,10-8+
InChIKeyGPSAOFZJEHHKST-QFMFQGICSA-N
MW153.23 g/mol
LogP0.45
Rot. Bonds2

About 1-piperazin-1-yl-N-[(E)-prop-1-enyl]methanimine

1-piperazin-1-yl-N-[(E)-prop-1-enyl]methanimine (PubChem CID 118489766) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 1-piperazin-1-yl-N-[(E)-prop-1-enyl]methanimine.

Molecular Properties

Compound Name1-piperazin-1-yl-N-[(E)-prop-1-enyl]methanimine
PubChem CID118489766
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name1-piperazin-1-yl-N-[(E)-prop-1-enyl]methanimine
SMILESC/C=C/N=C/N1CCNCC1
InChIInChI=1S/C8H15N3/c1-2-3-10-8-11-6-4-9-5-7-11/h2-3,8-9H,4-7H2,1H3/b3-2+,10-8+
InChIKeyGPSAOFZJEHHKST-QFMFQGICSA-N
XLogP0.45
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-N-[(E)-prop-1-enyl]methanimine?
The IUPAC name of 1-piperazin-1-yl-N-[(E)-prop-1-enyl]methanimine (CID 118489766) is 1-piperazin-1-yl-N-[(E)-prop-1-enyl]methanimine.
What is the SMILES notation for 1-piperazin-1-yl-N-[(E)-prop-1-enyl]methanimine?
The canonical SMILES for 1-piperazin-1-yl-N-[(E)-prop-1-enyl]methanimine is C/C=C/N=C/N1CCNCC1.
What is the InChIKey of 1-piperazin-1-yl-N-[(E)-prop-1-enyl]methanimine?
The InChIKey is GPSAOFZJEHHKST-QFMFQGICSA-N. The full InChI is InChI=1S/C8H15N3/c1-2-3-10-8-11-6-4-9-5-7-11/h2-3,8-9H,4-7H2,1H3/b3-2+,10-8+.
What are the key properties of 1-piperazin-1-yl-N-[(E)-prop-1-enyl]methanimine?
1-piperazin-1-yl-N-[(E)-prop-1-enyl]methanimine has a molecular weight of 153.23 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-N-[(E)-prop-1-enyl]methanimine is sourced from PubChem (CID 118489766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).