4-(2,5-dimethylpiperidin-1-yl)-6-fluoropyrimidine

C11H16FN3 — CID 115417124

IUPAC4-(2,5-dimethylpiperidin-1-yl)-6-fluoropyrimidine
SMILESCC1CCC(C)N(c2cc(F)ncn2)C1
InChIInChI=1S/C11H16FN3/c1-8-3-4-9(2)15(6-8)11-5-10(12)13-7-14-11/h5,7-9H,3-4,6H2,1-2H3
InChIKeyMSJCSYUQKIGFIV-UHFFFAOYSA-N
MW209.27 g/mol
LogP2.24
Rot. Bonds1

About 4-(2,5-dimethylpiperidin-1-yl)-6-fluoropyrimidine

4-(2,5-dimethylpiperidin-1-yl)-6-fluoropyrimidine (PubChem CID 115417124) has the molecular formula C11H16FN3 and a molecular weight of 209.27 g/mol. Its IUPAC name is 4-(2,5-dimethylpiperidin-1-yl)-6-fluoropyrimidine.

Molecular Properties

Compound Name4-(2,5-dimethylpiperidin-1-yl)-6-fluoropyrimidine
PubChem CID115417124
Molecular FormulaC11H16FN3
Molecular Weight209.27 g/mol
Exact Mass209.13
IUPAC Name4-(2,5-dimethylpiperidin-1-yl)-6-fluoropyrimidine
SMILESCC1CCC(C)N(c2cc(F)ncn2)C1
InChIInChI=1S/C11H16FN3/c1-8-3-4-9(2)15(6-8)11-5-10(12)13-7-14-11/h5,7-9H,3-4,6H2,1-2H3
InChIKeyMSJCSYUQKIGFIV-UHFFFAOYSA-N
XLogP2.24
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylpiperidin-1-yl)-6-fluoropyrimidine?
The IUPAC name of 4-(2,5-dimethylpiperidin-1-yl)-6-fluoropyrimidine (CID 115417124) is 4-(2,5-dimethylpiperidin-1-yl)-6-fluoropyrimidine.
What is the SMILES notation for 4-(2,5-dimethylpiperidin-1-yl)-6-fluoropyrimidine?
The canonical SMILES for 4-(2,5-dimethylpiperidin-1-yl)-6-fluoropyrimidine is CC1CCC(C)N(c2cc(F)ncn2)C1.
What is the InChIKey of 4-(2,5-dimethylpiperidin-1-yl)-6-fluoropyrimidine?
The InChIKey is MSJCSYUQKIGFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3/c1-8-3-4-9(2)15(6-8)11-5-10(12)13-7-14-11/h5,7-9H,3-4,6H2,1-2H3.
What are the key properties of 4-(2,5-dimethylpiperidin-1-yl)-6-fluoropyrimidine?
4-(2,5-dimethylpiperidin-1-yl)-6-fluoropyrimidine has a molecular weight of 209.27 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylpiperidin-1-yl)-6-fluoropyrimidine is sourced from PubChem (CID 115417124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).