2-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-4-methylpyrimidine

C12H18FN3 — CID 129349414

IUPAC2-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-4-methylpyrimidine
SMILESCc1ccnc(CN2CCC[C@@](C)(F)C2)n1
InChIInChI=1S/C12H18FN3/c1-10-4-6-14-11(15-10)8-16-7-3-5-12(2,13)9-16/h4,6H,3,5,7-9H2,1-2H3/t12-/m1/s1
InChIKeyFGWRIRNBDLJWJF-GFCCVEGCSA-N
MW223.29 g/mol
LogP2.11
Rot. Bonds2

About 2-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-4-methylpyrimidine

2-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-4-methylpyrimidine (PubChem CID 129349414) has the molecular formula C12H18FN3 and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-4-methylpyrimidine.

Molecular Properties

Compound Name2-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-4-methylpyrimidine
PubChem CID129349414
Molecular FormulaC12H18FN3
Molecular Weight223.29 g/mol
Exact Mass223.15
IUPAC Name2-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-4-methylpyrimidine
SMILESCc1ccnc(CN2CCC[C@@](C)(F)C2)n1
InChIInChI=1S/C12H18FN3/c1-10-4-6-14-11(15-10)8-16-7-3-5-12(2,13)9-16/h4,6H,3,5,7-9H2,1-2H3/t12-/m1/s1
InChIKeyFGWRIRNBDLJWJF-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 2-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-4-methylpyrimidine?
The IUPAC name of 2-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-4-methylpyrimidine (CID 129349414) is 2-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-4-methylpyrimidine.
What is the SMILES notation for 2-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-4-methylpyrimidine?
The canonical SMILES for 2-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-4-methylpyrimidine is Cc1ccnc(CN2CCC[C@@](C)(F)C2)n1.
What is the InChIKey of 2-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-4-methylpyrimidine?
The InChIKey is FGWRIRNBDLJWJF-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H18FN3/c1-10-4-6-14-11(15-10)8-16-7-3-5-12(2,13)9-16/h4,6H,3,5,7-9H2,1-2H3/t12-/m1/s1.
What are the key properties of 2-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-4-methylpyrimidine?
2-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-4-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 2-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-4-methylpyrimidine is sourced from PubChem (CID 129349414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).