methyl 1-pyrazin-2-ylpiperidine-4-carboxylate

C11H15N3O2 — CID 2766302

IUPACmethyl 1-pyrazin-2-ylpiperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C11H15N3O2/c1-16-11(15)9-2-6-14(7-3-9)10-8-12-4-5-13-10/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyJMTNLJDMDJPLER-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.87
Rot. Bonds2

About methyl 1-pyrazin-2-ylpiperidine-4-carboxylate

methyl 1-pyrazin-2-ylpiperidine-4-carboxylate (PubChem CID 2766302) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is methyl 1-pyrazin-2-ylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-pyrazin-2-ylpiperidine-4-carboxylate
PubChem CID2766302
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Namemethyl 1-pyrazin-2-ylpiperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C11H15N3O2/c1-16-11(15)9-2-6-14(7-3-9)10-8-12-4-5-13-10/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyJMTNLJDMDJPLER-UHFFFAOYSA-N
XLogP0.87
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-pyrazin-2-ylpiperidine-4-carboxylate?
The IUPAC name of methyl 1-pyrazin-2-ylpiperidine-4-carboxylate (CID 2766302) is methyl 1-pyrazin-2-ylpiperidine-4-carboxylate.
What is the SMILES notation for methyl 1-pyrazin-2-ylpiperidine-4-carboxylate?
The canonical SMILES for methyl 1-pyrazin-2-ylpiperidine-4-carboxylate is COC(=O)C1CCN(c2cnccn2)CC1.
What is the InChIKey of methyl 1-pyrazin-2-ylpiperidine-4-carboxylate?
The InChIKey is JMTNLJDMDJPLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-16-11(15)9-2-6-14(7-3-9)10-8-12-4-5-13-10/h4-5,8-9H,2-3,6-7H2,1H3.
What are the key properties of methyl 1-pyrazin-2-ylpiperidine-4-carboxylate?
methyl 1-pyrazin-2-ylpiperidine-4-carboxylate has a molecular weight of 221.26 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-pyrazin-2-ylpiperidine-4-carboxylate is sourced from PubChem (CID 2766302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).