4-[4-(2-chlorophenyl)piperidin-4-yl]-2-pyridin-4-ylpyrimidine

C20H19ClN4 — CID 70754024

IUPAC4-[4-(2-chlorophenyl)piperidin-4-yl]-2-pyridin-4-ylpyrimidine
SMILESClc1ccccc1C1(c2ccnc(-c3ccncc3)n2)CCNCC1
InChIInChI=1S/C20H19ClN4/c21-17-4-2-1-3-16(17)20(8-13-23-14-9-20)18-7-12-24-19(25-18)15-5-10-22-11-6-15/h1-7,10-12,23H,8-9,13-14H2
InChIKeyKLZGITIDISNAGI-UHFFFAOYSA-N
MW350.85 g/mol
LogP3.86
Rot. Bonds3

About 4-[4-(2-chlorophenyl)piperidin-4-yl]-2-pyridin-4-ylpyrimidine

4-[4-(2-chlorophenyl)piperidin-4-yl]-2-pyridin-4-ylpyrimidine (PubChem CID 70754024) has the molecular formula C20H19ClN4 and a molecular weight of 350.85 g/mol. Its IUPAC name is 4-[4-(2-chlorophenyl)piperidin-4-yl]-2-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name4-[4-(2-chlorophenyl)piperidin-4-yl]-2-pyridin-4-ylpyrimidine
PubChem CID70754024
Molecular FormulaC20H19ClN4
Molecular Weight350.85 g/mol
Exact Mass350.13
IUPAC Name4-[4-(2-chlorophenyl)piperidin-4-yl]-2-pyridin-4-ylpyrimidine
SMILESClc1ccccc1C1(c2ccnc(-c3ccncc3)n2)CCNCC1
InChIInChI=1S/C20H19ClN4/c21-17-4-2-1-3-16(17)20(8-13-23-14-9-20)18-7-12-24-19(25-18)15-5-10-22-11-6-15/h1-7,10-12,23H,8-9,13-14H2
InChIKeyKLZGITIDISNAGI-UHFFFAOYSA-N
XLogP3.86
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-chlorophenyl)piperidin-4-yl]-2-pyridin-4-ylpyrimidine?
The IUPAC name of 4-[4-(2-chlorophenyl)piperidin-4-yl]-2-pyridin-4-ylpyrimidine (CID 70754024) is 4-[4-(2-chlorophenyl)piperidin-4-yl]-2-pyridin-4-ylpyrimidine.
What is the SMILES notation for 4-[4-(2-chlorophenyl)piperidin-4-yl]-2-pyridin-4-ylpyrimidine?
The canonical SMILES for 4-[4-(2-chlorophenyl)piperidin-4-yl]-2-pyridin-4-ylpyrimidine is Clc1ccccc1C1(c2ccnc(-c3ccncc3)n2)CCNCC1.
What is the InChIKey of 4-[4-(2-chlorophenyl)piperidin-4-yl]-2-pyridin-4-ylpyrimidine?
The InChIKey is KLZGITIDISNAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4/c21-17-4-2-1-3-16(17)20(8-13-23-14-9-20)18-7-12-24-19(25-18)15-5-10-22-11-6-15/h1-7,10-12,23H,8-9,13-14H2.
What are the key properties of 4-[4-(2-chlorophenyl)piperidin-4-yl]-2-pyridin-4-ylpyrimidine?
4-[4-(2-chlorophenyl)piperidin-4-yl]-2-pyridin-4-ylpyrimidine has a molecular weight of 350.85 g/mol, XLogP of 3.86, 3 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-pyridin-4-ylpyrimidine is sourced from PubChem (CID 70754024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).