4-chloro-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidine

C17H20ClN3O2 — CID 135154048

IUPAC4-chloro-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidine
SMILESCOc1ccc(OC2CCN(c3ncnc(Cl)c3C)CC2)cc1
InChIInChI=1S/C17H20ClN3O2/c1-12-16(18)19-11-20-17(12)21-9-7-15(8-10-21)23-14-5-3-13(22-2)4-6-14/h3-6,11,15H,7-10H2,1-2H3
InChIKeyCKZVMRADGRUONQ-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.49
Rot. Bonds4

About 4-chloro-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidine

4-chloro-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidine (PubChem CID 135154048) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 4-chloro-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidine
PubChem CID135154048
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name4-chloro-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidine
SMILESCOc1ccc(OC2CCN(c3ncnc(Cl)c3C)CC2)cc1
InChIInChI=1S/C17H20ClN3O2/c1-12-16(18)19-11-20-17(12)21-9-7-15(8-10-21)23-14-5-3-13(22-2)4-6-14/h3-6,11,15H,7-10H2,1-2H3
InChIKeyCKZVMRADGRUONQ-UHFFFAOYSA-N
XLogP3.49
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.49
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]-5-methylpyrimidine?
The IUPAC name of 4-chloro-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidine (CID 135154048) is 4-chloro-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidine?
The canonical SMILES for 4-chloro-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidine is COc1ccc(OC2CCN(c3ncnc(Cl)c3C)CC2)cc1.
What is the InChIKey of 4-chloro-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidine?
The InChIKey is CKZVMRADGRUONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-12-16(18)19-11-20-17(12)21-9-7-15(8-10-21)23-14-5-3-13(22-2)4-6-14/h3-6,11,15H,7-10H2,1-2H3.
What are the key properties of 4-chloro-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidine?
4-chloro-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidine has a molecular weight of 333.82 g/mol, XLogP of 3.49, 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]-5-methylpyrimidine is sourced from PubChem (CID 135154048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).