2-[4-(2-chloroethoxy)piperidin-1-yl]-6-methoxypyrazine

C12H18ClN3O2 — CID 82701379

IUPAC2-[4-(2-chloroethoxy)piperidin-1-yl]-6-methoxypyrazine
SMILESCOc1cncc(N2CCC(OCCCl)CC2)n1
InChIInChI=1S/C12H18ClN3O2/c1-17-12-9-14-8-11(15-12)16-5-2-10(3-6-16)18-7-4-13/h8-10H,2-7H2,1H3
InChIKeyQPVHICHTENVHER-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.71
Rot. Bonds5

About 2-[4-(2-chloroethoxy)piperidin-1-yl]-6-methoxypyrazine

2-[4-(2-chloroethoxy)piperidin-1-yl]-6-methoxypyrazine (PubChem CID 82701379) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-[4-(2-chloroethoxy)piperidin-1-yl]-6-methoxypyrazine.

Molecular Properties

Compound Name2-[4-(2-chloroethoxy)piperidin-1-yl]-6-methoxypyrazine
PubChem CID82701379
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name2-[4-(2-chloroethoxy)piperidin-1-yl]-6-methoxypyrazine
SMILESCOc1cncc(N2CCC(OCCCl)CC2)n1
InChIInChI=1S/C12H18ClN3O2/c1-17-12-9-14-8-11(15-12)16-5-2-10(3-6-16)18-7-4-13/h8-10H,2-7H2,1H3
InChIKeyQPVHICHTENVHER-UHFFFAOYSA-N
XLogP1.71
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-[4-(2-chloroethoxy)piperidin-1-yl]-6-methoxypyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chloroethoxy)piperidin-1-yl]-6-methoxypyrazine?
The IUPAC name of 2-[4-(2-chloroethoxy)piperidin-1-yl]-6-methoxypyrazine (CID 82701379) is 2-[4-(2-chloroethoxy)piperidin-1-yl]-6-methoxypyrazine.
What is the SMILES notation for 2-[4-(2-chloroethoxy)piperidin-1-yl]-6-methoxypyrazine?
The canonical SMILES for 2-[4-(2-chloroethoxy)piperidin-1-yl]-6-methoxypyrazine is COc1cncc(N2CCC(OCCCl)CC2)n1.
What is the InChIKey of 2-[4-(2-chloroethoxy)piperidin-1-yl]-6-methoxypyrazine?
The InChIKey is QPVHICHTENVHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-17-12-9-14-8-11(15-12)16-5-2-10(3-6-16)18-7-4-13/h8-10H,2-7H2,1H3.
What are the key properties of 2-[4-(2-chloroethoxy)piperidin-1-yl]-6-methoxypyrazine?
2-[4-(2-chloroethoxy)piperidin-1-yl]-6-methoxypyrazine has a molecular weight of 271.75 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chloroethoxy)piperidin-1-yl]-6-methoxypyrazine is sourced from PubChem (CID 82701379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).