1-[1-(2-methylprop-2-enyl)azetidin-3-yl]piperazine

C11H21N3 — CID 66197740

IUPAC1-[1-(2-methylprop-2-enyl)azetidin-3-yl]piperazine
SMILESC=C(C)CN1CC(N2CCNCC2)C1
InChIInChI=1S/C11H21N3/c1-10(2)7-13-8-11(9-13)14-5-3-12-4-6-14/h11-12H,1,3-9H2,2H3
InChIKeyFFDZSHOXVQTZBV-UHFFFAOYSA-N
MW195.31 g/mol
LogP0.15
Rot. Bonds3

About 1-[1-(2-methylprop-2-enyl)azetidin-3-yl]piperazine

1-[1-(2-methylprop-2-enyl)azetidin-3-yl]piperazine (PubChem CID 66197740) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-[1-(2-methylprop-2-enyl)azetidin-3-yl]piperazine.

Molecular Properties

Compound Name1-[1-(2-methylprop-2-enyl)azetidin-3-yl]piperazine
PubChem CID66197740
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1-[1-(2-methylprop-2-enyl)azetidin-3-yl]piperazine
SMILESC=C(C)CN1CC(N2CCNCC2)C1
InChIInChI=1S/C11H21N3/c1-10(2)7-13-8-11(9-13)14-5-3-12-4-6-14/h11-12H,1,3-9H2,2H3
InChIKeyFFDZSHOXVQTZBV-UHFFFAOYSA-N
XLogP0.15
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[1-(2-methylprop-2-enyl)azetidin-3-yl]piperazine?
The IUPAC name of 1-[1-(2-methylprop-2-enyl)azetidin-3-yl]piperazine (CID 66197740) is 1-[1-(2-methylprop-2-enyl)azetidin-3-yl]piperazine.
What is the SMILES notation for 1-[1-(2-methylprop-2-enyl)azetidin-3-yl]piperazine?
The canonical SMILES for 1-[1-(2-methylprop-2-enyl)azetidin-3-yl]piperazine is C=C(C)CN1CC(N2CCNCC2)C1.
What is the InChIKey of 1-[1-(2-methylprop-2-enyl)azetidin-3-yl]piperazine?
The InChIKey is FFDZSHOXVQTZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-10(2)7-13-8-11(9-13)14-5-3-12-4-6-14/h11-12H,1,3-9H2,2H3.
What are the key properties of 1-[1-(2-methylprop-2-enyl)azetidin-3-yl]piperazine?
1-[1-(2-methylprop-2-enyl)azetidin-3-yl]piperazine has a molecular weight of 195.31 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylprop-2-enyl)azetidin-3-yl]piperazine is sourced from PubChem (CID 66197740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).