1-(azetidin-2-ylmethyl)-4-prop-2-ynylpiperazine

C11H19N3 — CID 130921272

IUPAC1-(azetidin-2-ylmethyl)-4-prop-2-ynylpiperazine
SMILESC#CCN1CCN(CC2CCN2)CC1
InChIInChI=1S/C11H19N3/c1-2-5-13-6-8-14(9-7-13)10-11-3-4-12-11/h1,11-12H,3-10H2
InChIKeyFWYFIQBUPWJXNL-UHFFFAOYSA-N
MW193.29 g/mol
LogP-0.40
Rot. Bonds3

About 1-(azetidin-2-ylmethyl)-4-prop-2-ynylpiperazine

1-(azetidin-2-ylmethyl)-4-prop-2-ynylpiperazine (PubChem CID 130921272) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(azetidin-2-ylmethyl)-4-prop-2-ynylpiperazine.

Molecular Properties

Compound Name1-(azetidin-2-ylmethyl)-4-prop-2-ynylpiperazine
PubChem CID130921272
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-(azetidin-2-ylmethyl)-4-prop-2-ynylpiperazine
SMILESC#CCN1CCN(CC2CCN2)CC1
InChIInChI=1S/C11H19N3/c1-2-5-13-6-8-14(9-7-13)10-11-3-4-12-11/h1,11-12H,3-10H2
InChIKeyFWYFIQBUPWJXNL-UHFFFAOYSA-N
XLogP-0.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-2-ylmethyl)-4-prop-2-ynylpiperazine?
The IUPAC name of 1-(azetidin-2-ylmethyl)-4-prop-2-ynylpiperazine (CID 130921272) is 1-(azetidin-2-ylmethyl)-4-prop-2-ynylpiperazine.
What is the SMILES notation for 1-(azetidin-2-ylmethyl)-4-prop-2-ynylpiperazine?
The canonical SMILES for 1-(azetidin-2-ylmethyl)-4-prop-2-ynylpiperazine is C#CCN1CCN(CC2CCN2)CC1.
What is the InChIKey of 1-(azetidin-2-ylmethyl)-4-prop-2-ynylpiperazine?
The InChIKey is FWYFIQBUPWJXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-2-5-13-6-8-14(9-7-13)10-11-3-4-12-11/h1,11-12H,3-10H2.
What are the key properties of 1-(azetidin-2-ylmethyl)-4-prop-2-ynylpiperazine?
1-(azetidin-2-ylmethyl)-4-prop-2-ynylpiperazine has a molecular weight of 193.29 g/mol, XLogP of -0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-2-ylmethyl)-4-prop-2-ynylpiperazine is sourced from PubChem (CID 130921272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).