2-[2-(4-fluorophenyl)piperidin-1-yl]pyrimidine

C15H16FN3 — CID 154749859

IUPAC2-[2-(4-fluorophenyl)piperidin-1-yl]pyrimidine
SMILESFc1ccc(C2CCCCN2c2ncccn2)cc1
InChIInChI=1S/C15H16FN3/c16-13-7-5-12(6-8-13)14-4-1-2-11-19(14)15-17-9-3-10-18-15/h3,5-10,14H,1-2,4,11H2
InChIKeyOPOSFMGTDQIWHN-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.35
Rot. Bonds2

About 2-[2-(4-fluorophenyl)piperidin-1-yl]pyrimidine

2-[2-(4-fluorophenyl)piperidin-1-yl]pyrimidine (PubChem CID 154749859) has the molecular formula C15H16FN3 and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)piperidin-1-yl]pyrimidine
PubChem CID154749859
Molecular FormulaC15H16FN3
Molecular Weight257.31 g/mol
Exact Mass257.13
IUPAC Name2-[2-(4-fluorophenyl)piperidin-1-yl]pyrimidine
SMILESFc1ccc(C2CCCCN2c2ncccn2)cc1
InChIInChI=1S/C15H16FN3/c16-13-7-5-12(6-8-13)14-4-1-2-11-19(14)15-17-9-3-10-18-15/h3,5-10,14H,1-2,4,11H2
InChIKeyOPOSFMGTDQIWHN-UHFFFAOYSA-N
XLogP3.35
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)piperidin-1-yl]pyrimidine?
The IUPAC name of 2-[2-(4-fluorophenyl)piperidin-1-yl]pyrimidine (CID 154749859) is 2-[2-(4-fluorophenyl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2-[2-(4-fluorophenyl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 2-[2-(4-fluorophenyl)piperidin-1-yl]pyrimidine is Fc1ccc(C2CCCCN2c2ncccn2)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)piperidin-1-yl]pyrimidine?
The InChIKey is OPOSFMGTDQIWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3/c16-13-7-5-12(6-8-13)14-4-1-2-11-19(14)15-17-9-3-10-18-15/h3,5-10,14H,1-2,4,11H2.
What are the key properties of 2-[2-(4-fluorophenyl)piperidin-1-yl]pyrimidine?
2-[2-(4-fluorophenyl)piperidin-1-yl]pyrimidine has a molecular weight of 257.31 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 154749859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).