4-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-6-methylpyrimidine

C12H18FN3 — CID 129488024

IUPAC4-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-6-methylpyrimidine
SMILESCc1cc(CN2CCC[C@@](C)(F)C2)ncn1
InChIInChI=1S/C12H18FN3/c1-10-6-11(15-9-14-10)7-16-5-3-4-12(2,13)8-16/h6,9H,3-5,7-8H2,1-2H3/t12-/m1/s1
InChIKeyFOTXSTUTDLZDFK-GFCCVEGCSA-N
MW223.29 g/mol
LogP2.11
Rot. Bonds2

About 4-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-6-methylpyrimidine

4-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-6-methylpyrimidine (PubChem CID 129488024) has the molecular formula C12H18FN3 and a molecular weight of 223.29 g/mol. Its IUPAC name is 4-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-6-methylpyrimidine.

Molecular Properties

Compound Name4-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-6-methylpyrimidine
PubChem CID129488024
Molecular FormulaC12H18FN3
Molecular Weight223.29 g/mol
Exact Mass223.15
IUPAC Name4-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-6-methylpyrimidine
SMILESCc1cc(CN2CCC[C@@](C)(F)C2)ncn1
InChIInChI=1S/C12H18FN3/c1-10-6-11(15-9-14-10)7-16-5-3-4-12(2,13)8-16/h6,9H,3-5,7-8H2,1-2H3/t12-/m1/s1
InChIKeyFOTXSTUTDLZDFK-GFCCVEGCSA-N
XLogP2.11
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-6-methylpyrimidine?
The IUPAC name of 4-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-6-methylpyrimidine (CID 129488024) is 4-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-6-methylpyrimidine.
What is the SMILES notation for 4-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-6-methylpyrimidine?
The canonical SMILES for 4-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-6-methylpyrimidine is Cc1cc(CN2CCC[C@@](C)(F)C2)ncn1.
What is the InChIKey of 4-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-6-methylpyrimidine?
The InChIKey is FOTXSTUTDLZDFK-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H18FN3/c1-10-6-11(15-9-14-10)7-16-5-3-4-12(2,13)8-16/h6,9H,3-5,7-8H2,1-2H3/t12-/m1/s1.
What are the key properties of 4-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-6-methylpyrimidine?
4-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-6-methylpyrimidine has a molecular weight of 223.29 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-6-methylpyrimidine is sourced from PubChem (CID 129488024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).