1-[1-(2-methylidenebutyl)azetidin-3-yl]piperazine

C12H23N3 — CID 66195805

IUPAC1-[1-(2-methylidenebutyl)azetidin-3-yl]piperazine
SMILESC=C(CC)CN1CC(N2CCNCC2)C1
InChIInChI=1S/C12H23N3/c1-3-11(2)8-14-9-12(10-14)15-6-4-13-5-7-15/h12-13H,2-10H2,1H3
InChIKeyGAPOBUHSDIQEHS-UHFFFAOYSA-N
MW209.34 g/mol
LogP0.54
Rot. Bonds4

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

1-[1-(2-methylidenebutyl)azetidin-3-yl]piperazine (PubChem CID 66195805) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-[1-(2-methylidenebutyl)azetidin-3-yl]piperazine.

Molecular Properties

Compound Name1-[1-(2-methylidenebutyl)azetidin-3-yl]piperazine
PubChem CID66195805
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-[1-(2-methylidenebutyl)azetidin-3-yl]piperazine
SMILESC=C(CC)CN1CC(N2CCNCC2)C1
InChIInChI=1S/C12H23N3/c1-3-11(2)8-14-9-12(10-14)15-6-4-13-5-7-15/h12-13H,2-10H2,1H3
InChIKeyGAPOBUHSDIQEHS-UHFFFAOYSA-N
XLogP0.54
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 50.54
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-methylidenebutyl)azetidin-3-yl]piperazine?
The IUPAC name of 1-[1-(2-methylidenebutyl)azetidin-3-yl]piperazine (CID 66195805) is 1-[1-(2-methylidenebutyl)azetidin-3-yl]piperazine.
What is the SMILES notation for 1-[1-(2-methylidenebutyl)azetidin-3-yl]piperazine?
The canonical SMILES for 1-[1-(2-methylidenebutyl)azetidin-3-yl]piperazine is C=C(CC)CN1CC(N2CCNCC2)C1.
What is the InChIKey of 1-[1-(2-methylidenebutyl)azetidin-3-yl]piperazine?
The InChIKey is GAPOBUHSDIQEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-3-11(2)8-14-9-12(10-14)15-6-4-13-5-7-15/h12-13H,2-10H2,1H3.
What are the key properties of 1-[1-(2-methylidenebutyl)azetidin-3-yl]piperazine?
1-[1-(2-methylidenebutyl)azetidin-3-yl]piperazine has a molecular weight of 209.34 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylidenebutyl)azetidin-3-yl]piperazine is sourced from PubChem (CID 66195805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).