1-[2-(piperazin-1-ylmethyl)prop-2-enyl]piperazine

C12H24N4 — CID 18547148

IUPAC1-[2-(piperazin-1-ylmethyl)prop-2-enyl]piperazine
SMILESC=C(CN1CCNCC1)CN1CCNCC1
InChIInChI=1S/C12H24N4/c1-12(10-15-6-2-13-3-7-15)11-16-8-4-14-5-9-16/h13-14H,1-11H2
InChIKeyAKLAQNDNNGOTJS-UHFFFAOYSA-N
MW224.35 g/mol
LogP-0.65
Rot. Bonds4

About 1-[2-(piperazin-1-ylmethyl)prop-2-enyl]piperazine

1-[2-(piperazin-1-ylmethyl)prop-2-enyl]piperazine (PubChem CID 18547148) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-[2-(piperazin-1-ylmethyl)prop-2-enyl]piperazine.

Molecular Properties

Compound Name1-[2-(piperazin-1-ylmethyl)prop-2-enyl]piperazine
PubChem CID18547148
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name1-[2-(piperazin-1-ylmethyl)prop-2-enyl]piperazine
SMILESC=C(CN1CCNCC1)CN1CCNCC1
InChIInChI=1S/C12H24N4/c1-12(10-15-6-2-13-3-7-15)11-16-8-4-14-5-9-16/h13-14H,1-11H2
InChIKeyAKLAQNDNNGOTJS-UHFFFAOYSA-N
XLogP-0.65
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 1-[2-(piperazin-1-ylmethyl)prop-2-enyl]piperazine?
The IUPAC name of 1-[2-(piperazin-1-ylmethyl)prop-2-enyl]piperazine (CID 18547148) is 1-[2-(piperazin-1-ylmethyl)prop-2-enyl]piperazine.
What is the SMILES notation for 1-[2-(piperazin-1-ylmethyl)prop-2-enyl]piperazine?
The canonical SMILES for 1-[2-(piperazin-1-ylmethyl)prop-2-enyl]piperazine is C=C(CN1CCNCC1)CN1CCNCC1.
What is the InChIKey of 1-[2-(piperazin-1-ylmethyl)prop-2-enyl]piperazine?
The InChIKey is AKLAQNDNNGOTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-12(10-15-6-2-13-3-7-15)11-16-8-4-14-5-9-16/h13-14H,1-11H2.
What are the key properties of 1-[2-(piperazin-1-ylmethyl)prop-2-enyl]piperazine?
1-[2-(piperazin-1-ylmethyl)prop-2-enyl]piperazine has a molecular weight of 224.35 g/mol, XLogP of -0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(piperazin-1-ylmethyl)prop-2-enyl]piperazine is sourced from PubChem (CID 18547148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).