2-(4,4-difluoropiperidin-1-yl)-4-methylpyrimidine

C10H13F2N3 — CID 91416437

IUPAC2-(4,4-difluoropiperidin-1-yl)-4-methylpyrimidine
SMILESCc1ccnc(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C10H13F2N3/c1-8-2-5-13-9(14-8)15-6-3-10(11,12)4-7-15/h2,5H,3-4,6-7H2,1H3
InChIKeyLIUGCDDDBYCXMX-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.02
Rot. Bonds1

About 2-(4,4-difluoropiperidin-1-yl)-4-methylpyrimidine

2-(4,4-difluoropiperidin-1-yl)-4-methylpyrimidine (PubChem CID 91416437) has the molecular formula C10H13F2N3 and a molecular weight of 213.23 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-4-methylpyrimidine.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-4-methylpyrimidine
PubChem CID91416437
Molecular FormulaC10H13F2N3
Molecular Weight213.23 g/mol
Exact Mass213.11
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-4-methylpyrimidine
SMILESCc1ccnc(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C10H13F2N3/c1-8-2-5-13-9(14-8)15-6-3-10(11,12)4-7-15/h2,5H,3-4,6-7H2,1H3
InChIKeyLIUGCDDDBYCXMX-UHFFFAOYSA-N
XLogP2.02
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-4-methylpyrimidine?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-4-methylpyrimidine (CID 91416437) is 2-(4,4-difluoropiperidin-1-yl)-4-methylpyrimidine.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-4-methylpyrimidine?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-4-methylpyrimidine is Cc1ccnc(N2CCC(F)(F)CC2)n1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-4-methylpyrimidine?
The InChIKey is LIUGCDDDBYCXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3/c1-8-2-5-13-9(14-8)15-6-3-10(11,12)4-7-15/h2,5H,3-4,6-7H2,1H3.
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-4-methylpyrimidine?
2-(4,4-difluoropiperidin-1-yl)-4-methylpyrimidine has a molecular weight of 213.23 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-4-methylpyrimidine is sourced from PubChem (CID 91416437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).