4-chloro-6-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-2-methylpyrimidine

C17H19Cl2N3O — CID 133390644

IUPAC4-chloro-6-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-2-methylpyrimidine
SMILESCc1nc(Cl)cc(N2CCCC(COc3ccccc3Cl)C2)n1
InChIInChI=1S/C17H19Cl2N3O/c1-12-20-16(19)9-17(21-12)22-8-4-5-13(10-22)11-23-15-7-3-2-6-14(15)18/h2-3,6-7,9,13H,4-5,8,10-11H2,1H3
InChIKeyXEWZYDVGJRKBGH-UHFFFAOYSA-N
MW352.27 g/mol
LogP4.39
Rot. Bonds4

About 4-chloro-6-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-2-methylpyrimidine

4-chloro-6-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-2-methylpyrimidine (PubChem CID 133390644) has the molecular formula C17H19Cl2N3O and a molecular weight of 352.27 g/mol. Its IUPAC name is 4-chloro-6-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-2-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-2-methylpyrimidine
PubChem CID133390644
Molecular FormulaC17H19Cl2N3O
Molecular Weight352.27 g/mol
Exact Mass351.09
IUPAC Name4-chloro-6-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-2-methylpyrimidine
SMILESCc1nc(Cl)cc(N2CCCC(COc3ccccc3Cl)C2)n1
InChIInChI=1S/C17H19Cl2N3O/c1-12-20-16(19)9-17(21-12)22-8-4-5-13(10-22)11-23-15-7-3-2-6-14(15)18/h2-3,6-7,9,13H,4-5,8,10-11H2,1H3
InChIKeyXEWZYDVGJRKBGH-UHFFFAOYSA-N
XLogP4.39
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-2-methylpyrimidine?
The IUPAC name of 4-chloro-6-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-2-methylpyrimidine (CID 133390644) is 4-chloro-6-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-2-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-2-methylpyrimidine?
The canonical SMILES for 4-chloro-6-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-2-methylpyrimidine is Cc1nc(Cl)cc(N2CCCC(COc3ccccc3Cl)C2)n1.
What is the InChIKey of 4-chloro-6-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-2-methylpyrimidine?
The InChIKey is XEWZYDVGJRKBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O/c1-12-20-16(19)9-17(21-12)22-8-4-5-13(10-22)11-23-15-7-3-2-6-14(15)18/h2-3,6-7,9,13H,4-5,8,10-11H2,1H3.
What are the key properties of 4-chloro-6-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-2-methylpyrimidine?
4-chloro-6-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-2-methylpyrimidine has a molecular weight of 352.27 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-2-methylpyrimidine is sourced from PubChem (CID 133390644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).