4-(2-methoxyphenyl)-1-[(3-pyrimidin-2-yloxyphenyl)methyl]piperidin-4-ol

C23H25N3O3 — CID 16673489

IUPAC4-(2-methoxyphenyl)-1-[(3-pyrimidin-2-yloxyphenyl)methyl]piperidin-4-ol
SMILESCOc1ccccc1C1(O)CCN(Cc2cccc(Oc3ncccn3)c2)CC1
InChIInChI=1S/C23H25N3O3/c1-28-21-9-3-2-8-20(21)23(27)10-14-26(15-11-23)17-18-6-4-7-19(16-18)29-22-24-12-5-13-25-22/h2-9,12-13,16,27H,10-11,14-15,17H2,1H3
InChIKeyAHNZCKHZVLYJJD-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.76
Rot. Bonds6

About 4-(2-methoxyphenyl)-1-[(3-pyrimidin-2-yloxyphenyl)methyl]piperidin-4-ol

4-(2-methoxyphenyl)-1-[(3-pyrimidin-2-yloxyphenyl)methyl]piperidin-4-ol (PubChem CID 16673489) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-1-[(3-pyrimidin-2-yloxyphenyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-1-[(3-pyrimidin-2-yloxyphenyl)methyl]piperidin-4-ol
PubChem CID16673489
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name4-(2-methoxyphenyl)-1-[(3-pyrimidin-2-yloxyphenyl)methyl]piperidin-4-ol
SMILESCOc1ccccc1C1(O)CCN(Cc2cccc(Oc3ncccn3)c2)CC1
InChIInChI=1S/C23H25N3O3/c1-28-21-9-3-2-8-20(21)23(27)10-14-26(15-11-23)17-18-6-4-7-19(16-18)29-22-24-12-5-13-25-22/h2-9,12-13,16,27H,10-11,14-15,17H2,1H3
InChIKeyAHNZCKHZVLYJJD-UHFFFAOYSA-N
XLogP3.76
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(2-methoxyphenyl)-1-[(3-pyrimidin-2-yloxyphenyl)methyl]piperidin-4-ol 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-(2-methoxyphenyl)-1-[(3-pyrimidin-2-yloxyphenyl)methyl]piperidin-4-ol?
The IUPAC name of 4-(2-methoxyphenyl)-1-[(3-pyrimidin-2-yloxyphenyl)methyl]piperidin-4-ol (CID 16673489) is 4-(2-methoxyphenyl)-1-[(3-pyrimidin-2-yloxyphenyl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-(2-methoxyphenyl)-1-[(3-pyrimidin-2-yloxyphenyl)methyl]piperidin-4-ol?
The canonical SMILES for 4-(2-methoxyphenyl)-1-[(3-pyrimidin-2-yloxyphenyl)methyl]piperidin-4-ol is COc1ccccc1C1(O)CCN(Cc2cccc(Oc3ncccn3)c2)CC1.
What is the InChIKey of 4-(2-methoxyphenyl)-1-[(3-pyrimidin-2-yloxyphenyl)methyl]piperidin-4-ol?
The InChIKey is AHNZCKHZVLYJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-28-21-9-3-2-8-20(21)23(27)10-14-26(15-11-23)17-18-6-4-7-19(16-18)29-22-24-12-5-13-25-22/h2-9,12-13,16,27H,10-11,14-15,17H2,1H3.
What are the key properties of 4-(2-methoxyphenyl)-1-[(3-pyrimidin-2-yloxyphenyl)methyl]piperidin-4-ol?
4-(2-methoxyphenyl)-1-[(3-pyrimidin-2-yloxyphenyl)methyl]piperidin-4-ol has a molecular weight of 391.47 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-1-[(3-pyrimidin-2-yloxyphenyl)methyl]piperidin-4-ol is sourced from PubChem (CID 16673489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).