methyl 4-pyridin-2-ylpiperazine-1-carboxylate

C11H15N3O2 — CID 4293937

IUPACmethyl 4-pyridin-2-ylpiperazine-1-carboxylate
SMILESCOC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C11H15N3O2/c1-16-11(15)14-8-6-13(7-9-14)10-4-2-3-5-12-10/h2-5H,6-9H2,1H3
InChIKeyGTJFWPYKGYEXOO-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.97
Rot. Bonds1

About methyl 4-pyridin-2-ylpiperazine-1-carboxylate

methyl 4-pyridin-2-ylpiperazine-1-carboxylate (PubChem CID 4293937) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is methyl 4-pyridin-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-pyridin-2-ylpiperazine-1-carboxylate
PubChem CID4293937
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Namemethyl 4-pyridin-2-ylpiperazine-1-carboxylate
SMILESCOC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C11H15N3O2/c1-16-11(15)14-8-6-13(7-9-14)10-4-2-3-5-12-10/h2-5H,6-9H2,1H3
InChIKeyGTJFWPYKGYEXOO-UHFFFAOYSA-N
XLogP0.97
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-pyridin-2-ylpiperazine-1-carboxylate?
The IUPAC name of methyl 4-pyridin-2-ylpiperazine-1-carboxylate (CID 4293937) is methyl 4-pyridin-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for methyl 4-pyridin-2-ylpiperazine-1-carboxylate?
The canonical SMILES for methyl 4-pyridin-2-ylpiperazine-1-carboxylate is COC(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of methyl 4-pyridin-2-ylpiperazine-1-carboxylate?
The InChIKey is GTJFWPYKGYEXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-16-11(15)14-8-6-13(7-9-14)10-4-2-3-5-12-10/h2-5H,6-9H2,1H3.
What are the key properties of methyl 4-pyridin-2-ylpiperazine-1-carboxylate?
methyl 4-pyridin-2-ylpiperazine-1-carboxylate has a molecular weight of 221.26 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-pyridin-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 4293937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).