4-[4-(2-chlorophenyl)piperidin-4-yl]-2-[(2-methoxyphenyl)methyl]pyrimidine

C23H24ClN3O — CID 70767189

IUPAC4-[4-(2-chlorophenyl)piperidin-4-yl]-2-[(2-methoxyphenyl)methyl]pyrimidine
SMILESCOc1ccccc1Cc1nccc(C2(c3ccccc3Cl)CCNCC2)n1
InChIInChI=1S/C23H24ClN3O/c1-28-20-9-5-2-6-17(20)16-22-26-13-10-21(27-22)23(11-14-25-15-12-23)18-7-3-4-8-19(18)24/h2-10,13,25H,11-12,14-16H2,1H3
InChIKeyMWRUWMQLARTDPN-UHFFFAOYSA-N
MW393.92 g/mol
LogP4.40
Rot. Bonds5

About 4-[4-(2-chlorophenyl)piperidin-4-yl]-2-[(2-methoxyphenyl)methyl]pyrimidine

4-[4-(2-chlorophenyl)piperidin-4-yl]-2-[(2-methoxyphenyl)methyl]pyrimidine (PubChem CID 70767189) has the molecular formula C23H24ClN3O and a molecular weight of 393.92 g/mol. Its IUPAC name is 4-[4-(2-chlorophenyl)piperidin-4-yl]-2-[(2-methoxyphenyl)methyl]pyrimidine.

Molecular Properties

Compound Name4-[4-(2-chlorophenyl)piperidin-4-yl]-2-[(2-methoxyphenyl)methyl]pyrimidine
PubChem CID70767189
Molecular FormulaC23H24ClN3O
Molecular Weight393.92 g/mol
Exact Mass393.16
IUPAC Name4-[4-(2-chlorophenyl)piperidin-4-yl]-2-[(2-methoxyphenyl)methyl]pyrimidine
SMILESCOc1ccccc1Cc1nccc(C2(c3ccccc3Cl)CCNCC2)n1
InChIInChI=1S/C23H24ClN3O/c1-28-20-9-5-2-6-17(20)16-22-26-13-10-21(27-22)23(11-14-25-15-12-23)18-7-3-4-8-19(18)24/h2-10,13,25H,11-12,14-16H2,1H3
InChIKeyMWRUWMQLARTDPN-UHFFFAOYSA-N
XLogP4.40
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-(2-chlorophenyl)piperidin-4-yl]-2-[(2-methoxyphenyl)methyl]pyrimidine 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 4-[4-(2-chlorophenyl)piperidin-4-yl]-2-[(2-methoxyphenyl)methyl]pyrimidine?
The IUPAC name of 4-[4-(2-chlorophenyl)piperidin-4-yl]-2-[(2-methoxyphenyl)methyl]pyrimidine (CID 70767189) is 4-[4-(2-chlorophenyl)piperidin-4-yl]-2-[(2-methoxyphenyl)methyl]pyrimidine.
What is the SMILES notation for 4-[4-(2-chlorophenyl)piperidin-4-yl]-2-[(2-methoxyphenyl)methyl]pyrimidine?
The canonical SMILES for 4-[4-(2-chlorophenyl)piperidin-4-yl]-2-[(2-methoxyphenyl)methyl]pyrimidine is COc1ccccc1Cc1nccc(C2(c3ccccc3Cl)CCNCC2)n1.
What is the InChIKey of 4-[4-(2-chlorophenyl)piperidin-4-yl]-2-[(2-methoxyphenyl)methyl]pyrimidine?
The InChIKey is MWRUWMQLARTDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O/c1-28-20-9-5-2-6-17(20)16-22-26-13-10-21(27-22)23(11-14-25-15-12-23)18-7-3-4-8-19(18)24/h2-10,13,25H,11-12,14-16H2,1H3.
What are the key properties of 4-[4-(2-chlorophenyl)piperidin-4-yl]-2-[(2-methoxyphenyl)methyl]pyrimidine?
4-[4-(2-chlorophenyl)piperidin-4-yl]-2-[(2-methoxyphenyl)methyl]pyrimidine has a molecular weight of 393.92 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-chlorophenyl)piperidin-4-yl]-2-[(2-methoxyphenyl)methyl]pyrimidine is sourced from PubChem (CID 70767189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).