1-[2-(azidomethyl)but-2-enyl]piperazine

C9H17N5 — CID 73450259

IUPAC1-[2-(azidomethyl)but-2-enyl]piperazine
SMILESCC=C(CN=[N+]=[N-])CN1CCNCC1
InChIInChI=1S/C9H17N5/c1-2-9(7-12-13-10)8-14-5-3-11-4-6-14/h2,11H,3-8H2,1H3
InChIKeyMFJINHRFUQSVEN-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.15
Rot. Bonds4

About 1-[2-(azidomethyl)but-2-enyl]piperazine

1-[2-(azidomethyl)but-2-enyl]piperazine (PubChem CID 73450259) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-[2-(azidomethyl)but-2-enyl]piperazine.

Molecular Properties

Compound Name1-[2-(azidomethyl)but-2-enyl]piperazine
PubChem CID73450259
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name1-[2-(azidomethyl)but-2-enyl]piperazine
SMILESCC=C(CN=[N+]=[N-])CN1CCNCC1
InChIInChI=1S/C9H17N5/c1-2-9(7-12-13-10)8-14-5-3-11-4-6-14/h2,11H,3-8H2,1H3
InChIKeyMFJINHRFUQSVEN-UHFFFAOYSA-N
XLogP1.15
TPSA64.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-(2-Methylallyl)piperazine
CID 1073878
1-(3-Methyl-but-2-enyl)-piperazine
CID 10441904
1-[2-(Azidomethyl)prop-2-enyl]piperazine
CID 18547091
1-[2-(Piperazin-1-ylmethyl)but-2-enyl]piperazine
CID 18547144
1-(2-Methylbut-2-enyl)piperazine
CID 54344810
1-[(Z)-2-(pyrrolidin-1-ylmethyl)but-2-enyl]piperazine
CID 70025152
1-[2-(Pyrrolidin-1-ylmethyl)but-2-enyl]piperazine
CID 70025155
1-[3-(Azidomethyl)pent-3-enyl]piperazine
CID 73450248
1-(2-Methylbut-2-enyl)-1,4,8,11-tetrazacyclotetradecane
CID 123612906
1-[(E)-2-methylbut-2-enyl]piperazine
CID 134406307
(E)-2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylbut-2-en-1-amine
CID 134406310
(2R)-2-methyl-1-(3-methylbut-2-enyl)piperazine;hydrochloride
CID 141432745

Frequently Asked Questions

What is the IUPAC name of 1-[2-(azidomethyl)but-2-enyl]piperazine?
The IUPAC name of 1-[2-(azidomethyl)but-2-enyl]piperazine (CID 73450259) is 1-[2-(azidomethyl)but-2-enyl]piperazine.
What is the SMILES notation for 1-[2-(azidomethyl)but-2-enyl]piperazine?
The canonical SMILES for 1-[2-(azidomethyl)but-2-enyl]piperazine is CC=C(CN=[N+]=[N-])CN1CCNCC1.
What is the InChIKey of 1-[2-(azidomethyl)but-2-enyl]piperazine?
The InChIKey is MFJINHRFUQSVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-2-9(7-12-13-10)8-14-5-3-11-4-6-14/h2,11H,3-8H2,1H3.
What are the key properties of 1-[2-(azidomethyl)but-2-enyl]piperazine?
1-[2-(azidomethyl)but-2-enyl]piperazine has a molecular weight of 195.27 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azidomethyl)but-2-enyl]piperazine is sourced from PubChem (CID 73450259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).