4-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidine

C16H19N3O — CID 72900097

IUPAC4-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidine
SMILESCOC1(c2ccccc2)CCN(c2ccncn2)CC1
InChIInChI=1S/C16H19N3O/c1-20-16(14-5-3-2-4-6-14)8-11-19(12-9-16)15-7-10-17-13-18-15/h2-7,10,13H,8-9,11-12H2,1H3
InChIKeyJVUKEQRJXAGVKD-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.62
Rot. Bonds3

About 4-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidine

4-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidine (PubChem CID 72900097) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidine
PubChem CID72900097
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidine
SMILESCOC1(c2ccccc2)CCN(c2ccncn2)CC1
InChIInChI=1S/C16H19N3O/c1-20-16(14-5-3-2-4-6-14)8-11-19(12-9-16)15-7-10-17-13-18-15/h2-7,10,13H,8-9,11-12H2,1H3
InChIKeyJVUKEQRJXAGVKD-UHFFFAOYSA-N
XLogP2.62
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4-methoxy-4-phenylpiperidin-1-yl)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-methoxy-4-phenylpiperidin-1-yl)pyrimidine?
The IUPAC name of 4-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidine (CID 72900097) is 4-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 4-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 4-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidine is COC1(c2ccccc2)CCN(c2ccncn2)CC1.
What is the InChIKey of 4-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidine?
The InChIKey is JVUKEQRJXAGVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-20-16(14-5-3-2-4-6-14)8-11-19(12-9-16)15-7-10-17-13-18-15/h2-7,10,13H,8-9,11-12H2,1H3.
What are the key properties of 4-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidine?
4-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidine has a molecular weight of 269.35 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 72900097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).