4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine

C12H17F2N3 — CID 118230574

IUPAC4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine
SMILESCC(C)c1cc(N2CCC(F)(F)CC2)ncn1
InChIInChI=1S/C12H17F2N3/c1-9(2)10-7-11(16-8-15-10)17-5-3-12(13,14)4-6-17/h7-9H,3-6H2,1-2H3
InChIKeyJVLMJHWKISGUQR-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.84
Rot. Bonds2

About 4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine

4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine (PubChem CID 118230574) has the molecular formula C12H17F2N3 and a molecular weight of 241.28 g/mol. Its IUPAC name is 4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine
PubChem CID118230574
Molecular FormulaC12H17F2N3
Molecular Weight241.28 g/mol
Exact Mass241.14
IUPAC Name4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine
SMILESCC(C)c1cc(N2CCC(F)(F)CC2)ncn1
InChIInChI=1S/C12H17F2N3/c1-9(2)10-7-11(16-8-15-10)17-5-3-12(13,14)4-6-17/h7-9H,3-6H2,1-2H3
InChIKeyJVLMJHWKISGUQR-UHFFFAOYSA-N
XLogP2.84
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine?
The IUPAC name of 4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine (CID 118230574) is 4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine.
What is the SMILES notation for 4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine?
The canonical SMILES for 4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine is CC(C)c1cc(N2CCC(F)(F)CC2)ncn1.
What is the InChIKey of 4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine?
The InChIKey is JVLMJHWKISGUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3/c1-9(2)10-7-11(16-8-15-10)17-5-3-12(13,14)4-6-17/h7-9H,3-6H2,1-2H3.
What are the key properties of 4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine?
4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine has a molecular weight of 241.28 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine is sourced from PubChem (CID 118230574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).