4-chloro-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-2,5-dimethylpyrimidine

C18H22ClN3O2 — CID 135154859

IUPAC4-chloro-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-2,5-dimethylpyrimidine
SMILESCOc1ccc(OC2CCN(c3nc(C)nc(Cl)c3C)CC2)cc1
InChIInChI=1S/C18H22ClN3O2/c1-12-17(19)20-13(2)21-18(12)22-10-8-16(9-11-22)24-15-6-4-14(23-3)5-7-15/h4-7,16H,8-11H2,1-3H3
InChIKeyHHDMPQKBBLHTSS-UHFFFAOYSA-N
MW347.85 g/mol
LogP3.80
Rot. Bonds4

About 4-chloro-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-2,5-dimethylpyrimidine

4-chloro-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-2,5-dimethylpyrimidine (PubChem CID 135154859) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is 4-chloro-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-2,5-dimethylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-2,5-dimethylpyrimidine
PubChem CID135154859
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name4-chloro-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-2,5-dimethylpyrimidine
SMILESCOc1ccc(OC2CCN(c3nc(C)nc(Cl)c3C)CC2)cc1
InChIInChI=1S/C18H22ClN3O2/c1-12-17(19)20-13(2)21-18(12)22-10-8-16(9-11-22)24-15-6-4-14(23-3)5-7-15/h4-7,16H,8-11H2,1-3H3
InChIKeyHHDMPQKBBLHTSS-UHFFFAOYSA-N
XLogP3.80
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-2,5-dimethylpyrimidine?
The IUPAC name of 4-chloro-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-2,5-dimethylpyrimidine (CID 135154859) is 4-chloro-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-2,5-dimethylpyrimidine.
What is the SMILES notation for 4-chloro-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-2,5-dimethylpyrimidine?
The canonical SMILES for 4-chloro-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-2,5-dimethylpyrimidine is COc1ccc(OC2CCN(c3nc(C)nc(Cl)c3C)CC2)cc1.
What is the InChIKey of 4-chloro-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-2,5-dimethylpyrimidine?
The InChIKey is HHDMPQKBBLHTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-12-17(19)20-13(2)21-18(12)22-10-8-16(9-11-22)24-15-6-4-14(23-3)5-7-15/h4-7,16H,8-11H2,1-3H3.
What are the key properties of 4-chloro-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-2,5-dimethylpyrimidine?
4-chloro-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-2,5-dimethylpyrimidine has a molecular weight of 347.85 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-2,5-dimethylpyrimidine is sourced from PubChem (CID 135154859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).