5-chloro-2-phenyl-4-piperidin-1-ylpyrimidine

C15H16ClN3 — CID 59517761

IUPAC5-chloro-2-phenyl-4-piperidin-1-ylpyrimidine
SMILESClc1cnc(-c2ccccc2)nc1N1CCCCC1
InChIInChI=1S/C15H16ClN3/c16-13-11-17-14(12-7-3-1-4-8-12)18-15(13)19-9-5-2-6-10-19/h1,3-4,7-8,11H,2,5-6,9-10H2
InChIKeyWQFOMLXQKFSANH-UHFFFAOYSA-N
MW273.77 g/mol
LogP3.79
Rot. Bonds2

About 5-chloro-2-phenyl-4-piperidin-1-ylpyrimidine

5-chloro-2-phenyl-4-piperidin-1-ylpyrimidine (PubChem CID 59517761) has the molecular formula C15H16ClN3 and a molecular weight of 273.77 g/mol. Its IUPAC name is 5-chloro-2-phenyl-4-piperidin-1-ylpyrimidine.

Molecular Properties

Compound Name5-chloro-2-phenyl-4-piperidin-1-ylpyrimidine
PubChem CID59517761
Molecular FormulaC15H16ClN3
Molecular Weight273.77 g/mol
Exact Mass273.10
IUPAC Name5-chloro-2-phenyl-4-piperidin-1-ylpyrimidine
SMILESClc1cnc(-c2ccccc2)nc1N1CCCCC1
InChIInChI=1S/C15H16ClN3/c16-13-11-17-14(12-7-3-1-4-8-12)18-15(13)19-9-5-2-6-10-19/h1,3-4,7-8,11H,2,5-6,9-10H2
InChIKeyWQFOMLXQKFSANH-UHFFFAOYSA-N
XLogP3.79
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-chloro-2-phenyl-4-piperidin-1-ylpyrimidine 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 5-chloro-2-phenyl-4-piperidin-1-ylpyrimidine?
The IUPAC name of 5-chloro-2-phenyl-4-piperidin-1-ylpyrimidine (CID 59517761) is 5-chloro-2-phenyl-4-piperidin-1-ylpyrimidine.
What is the SMILES notation for 5-chloro-2-phenyl-4-piperidin-1-ylpyrimidine?
The canonical SMILES for 5-chloro-2-phenyl-4-piperidin-1-ylpyrimidine is Clc1cnc(-c2ccccc2)nc1N1CCCCC1.
What is the InChIKey of 5-chloro-2-phenyl-4-piperidin-1-ylpyrimidine?
The InChIKey is WQFOMLXQKFSANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3/c16-13-11-17-14(12-7-3-1-4-8-12)18-15(13)19-9-5-2-6-10-19/h1,3-4,7-8,11H,2,5-6,9-10H2.
What are the key properties of 5-chloro-2-phenyl-4-piperidin-1-ylpyrimidine?
5-chloro-2-phenyl-4-piperidin-1-ylpyrimidine has a molecular weight of 273.77 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-phenyl-4-piperidin-1-ylpyrimidine is sourced from PubChem (CID 59517761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).