4-(3-chloropiperidin-1-yl)-6-methoxy-2-methylpyrimidine

C11H16ClN3O — CID 66331875

IUPAC4-(3-chloropiperidin-1-yl)-6-methoxy-2-methylpyrimidine
SMILESCOc1cc(N2CCCC(Cl)C2)nc(C)n1
InChIInChI=1S/C11H16ClN3O/c1-8-13-10(6-11(14-8)16-2)15-5-3-4-9(12)7-15/h6,9H,3-5,7H2,1-2H3
InChIKeyWTGDFHLKIOSGPJ-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.00
Rot. Bonds2

About 4-(3-chloropiperidin-1-yl)-6-methoxy-2-methylpyrimidine

4-(3-chloropiperidin-1-yl)-6-methoxy-2-methylpyrimidine (PubChem CID 66331875) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-(3-chloropiperidin-1-yl)-6-methoxy-2-methylpyrimidine.

Molecular Properties

Compound Name4-(3-chloropiperidin-1-yl)-6-methoxy-2-methylpyrimidine
PubChem CID66331875
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name4-(3-chloropiperidin-1-yl)-6-methoxy-2-methylpyrimidine
SMILESCOc1cc(N2CCCC(Cl)C2)nc(C)n1
InChIInChI=1S/C11H16ClN3O/c1-8-13-10(6-11(14-8)16-2)15-5-3-4-9(12)7-15/h6,9H,3-5,7H2,1-2H3
InChIKeyWTGDFHLKIOSGPJ-UHFFFAOYSA-N
XLogP2.00
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloropiperidin-1-yl)-6-methoxy-2-methylpyrimidine?
The IUPAC name of 4-(3-chloropiperidin-1-yl)-6-methoxy-2-methylpyrimidine (CID 66331875) is 4-(3-chloropiperidin-1-yl)-6-methoxy-2-methylpyrimidine.
What is the SMILES notation for 4-(3-chloropiperidin-1-yl)-6-methoxy-2-methylpyrimidine?
The canonical SMILES for 4-(3-chloropiperidin-1-yl)-6-methoxy-2-methylpyrimidine is COc1cc(N2CCCC(Cl)C2)nc(C)n1.
What is the InChIKey of 4-(3-chloropiperidin-1-yl)-6-methoxy-2-methylpyrimidine?
The InChIKey is WTGDFHLKIOSGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-8-13-10(6-11(14-8)16-2)15-5-3-4-9(12)7-15/h6,9H,3-5,7H2,1-2H3.
What are the key properties of 4-(3-chloropiperidin-1-yl)-6-methoxy-2-methylpyrimidine?
4-(3-chloropiperidin-1-yl)-6-methoxy-2-methylpyrimidine has a molecular weight of 241.72 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloropiperidin-1-yl)-6-methoxy-2-methylpyrimidine is sourced from PubChem (CID 66331875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).