2-(4-fluorophenyl)-4,6-dimethyl-5-piperidin-2-ylpyrimidine

C17H20FN3 — CID 115069914

IUPAC2-(4-fluorophenyl)-4,6-dimethyl-5-piperidin-2-ylpyrimidine
SMILESCc1nc(-c2ccc(F)cc2)nc(C)c1C1CCCCN1
InChIInChI=1S/C17H20FN3/c1-11-16(15-5-3-4-10-19-15)12(2)21-17(20-11)13-6-8-14(18)9-7-13/h6-9,15,19H,3-5,10H2,1-2H3
InChIKeyXRYWPHBZISKQOE-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.71
Rot. Bonds2

About 2-(4-fluorophenyl)-4,6-dimethyl-5-piperidin-2-ylpyrimidine

2-(4-fluorophenyl)-4,6-dimethyl-5-piperidin-2-ylpyrimidine (PubChem CID 115069914) has the molecular formula C17H20FN3 and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4,6-dimethyl-5-piperidin-2-ylpyrimidine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4,6-dimethyl-5-piperidin-2-ylpyrimidine
PubChem CID115069914
Molecular FormulaC17H20FN3
Molecular Weight285.37 g/mol
Exact Mass285.16
IUPAC Name2-(4-fluorophenyl)-4,6-dimethyl-5-piperidin-2-ylpyrimidine
SMILESCc1nc(-c2ccc(F)cc2)nc(C)c1C1CCCCN1
InChIInChI=1S/C17H20FN3/c1-11-16(15-5-3-4-10-19-15)12(2)21-17(20-11)13-6-8-14(18)9-7-13/h6-9,15,19H,3-5,10H2,1-2H3
InChIKeyXRYWPHBZISKQOE-UHFFFAOYSA-N
XLogP3.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dimethyl-2-(4-methylphenyl)-5-pyrrolidin-2-ylpyrimidine
CID 115069923
2-chloro-4,6-dimethyl-5-piperidin-2-ylpyrimidine
CID 115070130
2-(2-methoxyphenyl)-4,6-dimethyl-5-pyrrolidin-2-ylpyrimidine
CID 115069875
(2S)-2-(4-fluoro-2-methylphenyl)piperidine
CID 55278633
3-fluoro-2-methyl-6-[(2R)-piperidin-2-yl]pyridine
CID 130972186
3-(4-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 3998388
(2R)-2-(2,6-difluoro-3-methylphenyl)piperidine
CID 131271517
3-(4-fluoro-2-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 81274408
5-(azepan-2-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 64560736
3-(4-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride
CID 75526655
2-methyl-5,6-bis(4-methylphenyl)-3-piperidin-2-ylpyrazine
CID 69202900
(2R)-2-(2,6-dimethylphenyl)piperidine;hydrochloride
CID 171195444

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4,6-dimethyl-5-piperidin-2-ylpyrimidine?
The IUPAC name of 2-(4-fluorophenyl)-4,6-dimethyl-5-piperidin-2-ylpyrimidine (CID 115069914) is 2-(4-fluorophenyl)-4,6-dimethyl-5-piperidin-2-ylpyrimidine.
What is the SMILES notation for 2-(4-fluorophenyl)-4,6-dimethyl-5-piperidin-2-ylpyrimidine?
The canonical SMILES for 2-(4-fluorophenyl)-4,6-dimethyl-5-piperidin-2-ylpyrimidine is Cc1nc(-c2ccc(F)cc2)nc(C)c1C1CCCCN1.
What is the InChIKey of 2-(4-fluorophenyl)-4,6-dimethyl-5-piperidin-2-ylpyrimidine?
The InChIKey is XRYWPHBZISKQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3/c1-11-16(15-5-3-4-10-19-15)12(2)21-17(20-11)13-6-8-14(18)9-7-13/h6-9,15,19H,3-5,10H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-4,6-dimethyl-5-piperidin-2-ylpyrimidine?
2-(4-fluorophenyl)-4,6-dimethyl-5-piperidin-2-ylpyrimidine has a molecular weight of 285.37 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4,6-dimethyl-5-piperidin-2-ylpyrimidine is sourced from PubChem (CID 115069914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).