1-(pyridin-4-ylmethyl)piperazine

C10H15N3 — CID 808715

IUPAC1-(pyridin-4-ylmethyl)piperazine
SMILESc1cc(CN2CCNCC2)ccn1
InChIInChI=1S/C10H15N3/c1-3-11-4-2-10(1)9-13-7-5-12-6-8-13/h1-4,12H,5-9H2
InChIKeyXZYLSJPLCLKCMR-UHFFFAOYSA-N
MW177.25 g/mol
LogP0.49
Rot. Bonds2

About 1-(pyridin-4-ylmethyl)piperazine

1-(pyridin-4-ylmethyl)piperazine (PubChem CID 808715) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-(pyridin-4-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(pyridin-4-ylmethyl)piperazine
PubChem CID808715
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name1-(pyridin-4-ylmethyl)piperazine
SMILESc1cc(CN2CCNCC2)ccn1
InChIInChI=1S/C10H15N3/c1-3-11-4-2-10(1)9-13-7-5-12-6-8-13/h1-4,12H,5-9H2
InChIKeyXZYLSJPLCLKCMR-UHFFFAOYSA-N
XLogP0.49
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-4-ylmethyl)piperazine?
The IUPAC name of 1-(pyridin-4-ylmethyl)piperazine (CID 808715) is 1-(pyridin-4-ylmethyl)piperazine.
What is the SMILES notation for 1-(pyridin-4-ylmethyl)piperazine?
The canonical SMILES for 1-(pyridin-4-ylmethyl)piperazine is c1cc(CN2CCNCC2)ccn1.
What is the InChIKey of 1-(pyridin-4-ylmethyl)piperazine?
The InChIKey is XZYLSJPLCLKCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-3-11-4-2-10(1)9-13-7-5-12-6-8-13/h1-4,12H,5-9H2.
What are the key properties of 1-(pyridin-4-ylmethyl)piperazine?
1-(pyridin-4-ylmethyl)piperazine has a molecular weight of 177.25 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-4-ylmethyl)piperazine is sourced from PubChem (CID 808715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).