1-ethyl-4-(piperidin-4-ylmethyl)piperazine

C12H25N3 — CID 22689741

IUPAC1-ethyl-4-(piperidin-4-ylmethyl)piperazine
SMILESCCN1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C12H25N3/c1-2-14-7-9-15(10-8-14)11-12-3-5-13-6-4-12/h12-13H,2-11H2,1H3
InChIKeyXOPNLLWZWMVFOT-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.62
Rot. Bonds3

About 1-ethyl-4-(piperidin-4-ylmethyl)piperazine

1-ethyl-4-(piperidin-4-ylmethyl)piperazine (PubChem CID 22689741) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-ethyl-4-(piperidin-4-ylmethyl)piperazine.

Molecular Properties

Compound Name1-ethyl-4-(piperidin-4-ylmethyl)piperazine
PubChem CID22689741
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name1-ethyl-4-(piperidin-4-ylmethyl)piperazine
SMILESCCN1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C12H25N3/c1-2-14-7-9-15(10-8-14)11-12-3-5-13-6-4-12/h12-13H,2-11H2,1H3
InChIKeyXOPNLLWZWMVFOT-UHFFFAOYSA-N
XLogP0.62
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(piperidin-4-ylmethyl)piperazine?
The IUPAC name of 1-ethyl-4-(piperidin-4-ylmethyl)piperazine (CID 22689741) is 1-ethyl-4-(piperidin-4-ylmethyl)piperazine.
What is the SMILES notation for 1-ethyl-4-(piperidin-4-ylmethyl)piperazine?
The canonical SMILES for 1-ethyl-4-(piperidin-4-ylmethyl)piperazine is CCN1CCN(CC2CCNCC2)CC1.
What is the InChIKey of 1-ethyl-4-(piperidin-4-ylmethyl)piperazine?
The InChIKey is XOPNLLWZWMVFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-2-14-7-9-15(10-8-14)11-12-3-5-13-6-4-12/h12-13H,2-11H2,1H3.
What are the key properties of 1-ethyl-4-(piperidin-4-ylmethyl)piperazine?
1-ethyl-4-(piperidin-4-ylmethyl)piperazine has a molecular weight of 211.35 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(piperidin-4-ylmethyl)piperazine is sourced from PubChem (CID 22689741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).