1-(3-piperidin-2-ylprop-2-ynyl)piperazine

C12H21N3 — CID 117269546

IUPAC1-(3-piperidin-2-ylprop-2-ynyl)piperazine
SMILESC(#CC1CCCCN1)CN1CCNCC1
InChIInChI=1S/C12H21N3/c1-2-6-14-12(4-1)5-3-9-15-10-7-13-8-11-15/h12-14H,1-2,4,6-11H2
InChIKeyOOZSYWMFMNBGCA-UHFFFAOYSA-N
MW207.32 g/mol
LogP0.04
Rot. Bonds1

About 1-(3-piperidin-2-ylprop-2-ynyl)piperazine

1-(3-piperidin-2-ylprop-2-ynyl)piperazine (PubChem CID 117269546) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(3-piperidin-2-ylprop-2-ynyl)piperazine.

Molecular Properties

Compound Name1-(3-piperidin-2-ylprop-2-ynyl)piperazine
PubChem CID117269546
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-(3-piperidin-2-ylprop-2-ynyl)piperazine
SMILESC(#CC1CCCCN1)CN1CCNCC1
InChIInChI=1S/C12H21N3/c1-2-6-14-12(4-1)5-3-9-15-10-7-13-8-11-15/h12-14H,1-2,4,6-11H2
InChIKeyOOZSYWMFMNBGCA-UHFFFAOYSA-N
XLogP0.04
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 50.04
H-Bond Donors ≤ 52
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-(3-piperidin-2-ylprop-2-ynyl)piperazine?
The IUPAC name of 1-(3-piperidin-2-ylprop-2-ynyl)piperazine (CID 117269546) is 1-(3-piperidin-2-ylprop-2-ynyl)piperazine.
What is the SMILES notation for 1-(3-piperidin-2-ylprop-2-ynyl)piperazine?
The canonical SMILES for 1-(3-piperidin-2-ylprop-2-ynyl)piperazine is C(#CC1CCCCN1)CN1CCNCC1.
What is the InChIKey of 1-(3-piperidin-2-ylprop-2-ynyl)piperazine?
The InChIKey is OOZSYWMFMNBGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-2-6-14-12(4-1)5-3-9-15-10-7-13-8-11-15/h12-14H,1-2,4,6-11H2.
What are the key properties of 1-(3-piperidin-2-ylprop-2-ynyl)piperazine?
1-(3-piperidin-2-ylprop-2-ynyl)piperazine has a molecular weight of 207.32 g/mol, XLogP of 0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-piperidin-2-ylprop-2-ynyl)piperazine is sourced from PubChem (CID 117269546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).