1-ethyl-4-(pyridin-3-ylmethyl)piperazine

C12H19N3 — CID 763449

IUPAC1-ethyl-4-(pyridin-3-ylmethyl)piperazine
SMILESCCN1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C12H19N3/c1-2-14-6-8-15(9-7-14)11-12-4-3-5-13-10-12/h3-5,10H,2,6-9,11H2,1H3
InChIKeyNMOOIAYQMKTIKS-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.22
Rot. Bonds3

About 1-ethyl-4-(pyridin-3-ylmethyl)piperazine

1-ethyl-4-(pyridin-3-ylmethyl)piperazine (PubChem CID 763449) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 1-ethyl-4-(pyridin-3-ylmethyl)piperazine.

Molecular Properties

Compound Name1-ethyl-4-(pyridin-3-ylmethyl)piperazine
PubChem CID763449
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name1-ethyl-4-(pyridin-3-ylmethyl)piperazine
SMILESCCN1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C12H19N3/c1-2-14-6-8-15(9-7-14)11-12-4-3-5-13-10-12/h3-5,10H,2,6-9,11H2,1H3
InChIKeyNMOOIAYQMKTIKS-UHFFFAOYSA-N
XLogP1.22
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(pyridin-3-ylmethyl)piperazine?
The IUPAC name of 1-ethyl-4-(pyridin-3-ylmethyl)piperazine (CID 763449) is 1-ethyl-4-(pyridin-3-ylmethyl)piperazine.
What is the SMILES notation for 1-ethyl-4-(pyridin-3-ylmethyl)piperazine?
The canonical SMILES for 1-ethyl-4-(pyridin-3-ylmethyl)piperazine is CCN1CCN(Cc2cccnc2)CC1.
What is the InChIKey of 1-ethyl-4-(pyridin-3-ylmethyl)piperazine?
The InChIKey is NMOOIAYQMKTIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-2-14-6-8-15(9-7-14)11-12-4-3-5-13-10-12/h3-5,10H,2,6-9,11H2,1H3.
What are the key properties of 1-ethyl-4-(pyridin-3-ylmethyl)piperazine?
1-ethyl-4-(pyridin-3-ylmethyl)piperazine has a molecular weight of 205.31 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(pyridin-3-ylmethyl)piperazine is sourced from PubChem (CID 763449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).