6-[4-(fluoromethyl)piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione

C11H16FN3O2 — CID 166604759

IUPAC6-[4-(fluoromethyl)piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)cc(N2CCC(CF)CC2)[nH]c1=O
InChIInChI=1S/C11H16FN3O2/c1-14-10(16)6-9(13-11(14)17)15-4-2-8(7-12)3-5-15/h6,8H,2-5,7H2,1H3,(H,13,17)
InChIKeyBGJOVWYYMQQXNL-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.26
Rot. Bonds2

About 6-[4-(fluoromethyl)piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione

6-[4-(fluoromethyl)piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 166604759) has the molecular formula C11H16FN3O2 and a molecular weight of 241.27 g/mol. Its IUPAC name is 6-[4-(fluoromethyl)piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[4-(fluoromethyl)piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID166604759
Molecular FormulaC11H16FN3O2
Molecular Weight241.27 g/mol
Exact Mass241.12
IUPAC Name6-[4-(fluoromethyl)piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)cc(N2CCC(CF)CC2)[nH]c1=O
InChIInChI=1S/C11H16FN3O2/c1-14-10(16)6-9(13-11(14)17)15-4-2-8(7-12)3-5-15/h6,8H,2-5,7H2,1H3,(H,13,17)
InChIKeyBGJOVWYYMQQXNL-UHFFFAOYSA-N
XLogP0.26
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(fluoromethyl)piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[4-(fluoromethyl)piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione (CID 166604759) is 6-[4-(fluoromethyl)piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[4-(fluoromethyl)piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[4-(fluoromethyl)piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione is Cn1c(=O)cc(N2CCC(CF)CC2)[nH]c1=O.
What is the InChIKey of 6-[4-(fluoromethyl)piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is BGJOVWYYMQQXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O2/c1-14-10(16)6-9(13-11(14)17)15-4-2-8(7-12)3-5-15/h6,8H,2-5,7H2,1H3,(H,13,17).
What are the key properties of 6-[4-(fluoromethyl)piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione?
6-[4-(fluoromethyl)piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 241.27 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(fluoromethyl)piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 166604759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).