2-piperidin-3-ylpiperazine

C9H19N3 — CID 18435146

IUPAC2-piperidin-3-ylpiperazine
SMILESC1CNCC(C2CNCCN2)C1
InChIInChI=1S/C9H19N3/c1-2-8(6-10-3-1)9-7-11-4-5-12-9/h8-12H,1-7H2
InChIKeyBCOYLHZEWLUHFE-UHFFFAOYSA-N
MW169.27 g/mol
LogP-0.45
Rot. Bonds1

About 2-piperidin-3-ylpiperazine

2-piperidin-3-ylpiperazine (PubChem CID 18435146) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-piperidin-3-ylpiperazine.

Molecular Properties

Compound Name2-piperidin-3-ylpiperazine
PubChem CID18435146
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name2-piperidin-3-ylpiperazine
SMILESC1CNCC(C2CNCCN2)C1
InChIInChI=1S/C9H19N3/c1-2-8(6-10-3-1)9-7-11-4-5-12-9/h8-12H,1-7H2
InChIKeyBCOYLHZEWLUHFE-UHFFFAOYSA-N
XLogP-0.45
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-ylpiperazine?
The IUPAC name of 2-piperidin-3-ylpiperazine (CID 18435146) is 2-piperidin-3-ylpiperazine.
What is the SMILES notation for 2-piperidin-3-ylpiperazine?
The canonical SMILES for 2-piperidin-3-ylpiperazine is C1CNCC(C2CNCCN2)C1.
What is the InChIKey of 2-piperidin-3-ylpiperazine?
The InChIKey is BCOYLHZEWLUHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-2-8(6-10-3-1)9-7-11-4-5-12-9/h8-12H,1-7H2.
What are the key properties of 2-piperidin-3-ylpiperazine?
2-piperidin-3-ylpiperazine has a molecular weight of 169.27 g/mol, XLogP of -0.45, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-ylpiperazine is sourced from PubChem (CID 18435146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).