4-[(4-fluorophenyl)methyl]-2-methyl-6-piperidin-4-ylpyrimidine

C17H20FN3 — CID 110090018

IUPAC4-[(4-fluorophenyl)methyl]-2-methyl-6-piperidin-4-ylpyrimidine
SMILESCc1nc(Cc2ccc(F)cc2)cc(C2CCNCC2)n1
InChIInChI=1S/C17H20FN3/c1-12-20-16(10-13-2-4-15(18)5-3-13)11-17(21-12)14-6-8-19-9-7-14/h2-5,11,14,19H,6-10H2,1H3
InChIKeyJCGLCMJKOWFCIO-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.98
Rot. Bonds3

About 4-[(4-fluorophenyl)methyl]-2-methyl-6-piperidin-4-ylpyrimidine

4-[(4-fluorophenyl)methyl]-2-methyl-6-piperidin-4-ylpyrimidine (PubChem CID 110090018) has the molecular formula C17H20FN3 and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-2-methyl-6-piperidin-4-ylpyrimidine.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-2-methyl-6-piperidin-4-ylpyrimidine
PubChem CID110090018
Molecular FormulaC17H20FN3
Molecular Weight285.37 g/mol
Exact Mass285.16
IUPAC Name4-[(4-fluorophenyl)methyl]-2-methyl-6-piperidin-4-ylpyrimidine
SMILESCc1nc(Cc2ccc(F)cc2)cc(C2CCNCC2)n1
InChIInChI=1S/C17H20FN3/c1-12-20-16(10-13-2-4-15(18)5-3-13)11-17(21-12)14-6-8-19-9-7-14/h2-5,11,14,19H,6-10H2,1H3
InChIKeyJCGLCMJKOWFCIO-UHFFFAOYSA-N
XLogP2.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-2-methyl-6-piperidin-4-ylpyrimidine?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-2-methyl-6-piperidin-4-ylpyrimidine (CID 110090018) is 4-[(4-fluorophenyl)methyl]-2-methyl-6-piperidin-4-ylpyrimidine.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-2-methyl-6-piperidin-4-ylpyrimidine?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-2-methyl-6-piperidin-4-ylpyrimidine is Cc1nc(Cc2ccc(F)cc2)cc(C2CCNCC2)n1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-2-methyl-6-piperidin-4-ylpyrimidine?
The InChIKey is JCGLCMJKOWFCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3/c1-12-20-16(10-13-2-4-15(18)5-3-13)11-17(21-12)14-6-8-19-9-7-14/h2-5,11,14,19H,6-10H2,1H3.
What are the key properties of 4-[(4-fluorophenyl)methyl]-2-methyl-6-piperidin-4-ylpyrimidine?
4-[(4-fluorophenyl)methyl]-2-methyl-6-piperidin-4-ylpyrimidine has a molecular weight of 285.37 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-2-methyl-6-piperidin-4-ylpyrimidine is sourced from PubChem (CID 110090018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).