2-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]acetic acid

C11H14FN3O2 — CID 104605875

IUPAC2-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1c1ncc(F)cn1
InChIInChI=1S/C11H14FN3O2/c12-8-6-13-11(14-7-8)15-4-2-1-3-9(15)5-10(16)17/h6-7,9H,1-5H2,(H,16,17)
InChIKeyFWCCQXQJVPBSTM-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.45
Rot. Bonds3

About 2-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]acetic acid

2-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]acetic acid (PubChem CID 104605875) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is 2-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]acetic acid
PubChem CID104605875
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Name2-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1c1ncc(F)cn1
InChIInChI=1S/C11H14FN3O2/c12-8-6-13-11(14-7-8)15-4-2-1-3-9(15)5-10(16)17/h6-7,9H,1-5H2,(H,16,17)
InChIKeyFWCCQXQJVPBSTM-UHFFFAOYSA-N
XLogP1.45
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Pyrimidin-2-yl)piperidine-2-carboxylic acid
CID 16769819
2-[(2R)-1-(2-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]acetic acid
CID 164636434
2-[1-(5-Fluoropyrimidin-2-yl)piperidin-4-yl]acetic acid
CID 57962475
1-(5-Fluoropyrimidin-2-yl)piperidine-3-carboxylic acid
CID 60137804
1-(5-Fluoropyrimidin-2-yl)piperidine-4-carboxylic acid
CID 60137806
1-(5-Fluoro-2-pyrimidinyl)-2-methyl-4-piperidinecarboxylic acid
CID 106742541
4-Fluoro-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylic acid
CID 142475968
1-(5-Fluoropyrimidin-2-yl)piperidine-2-carboxylic acid
CID 60137811
2-[1-[4-(Trifluoromethyl)pyrimidin-2-yl]piperidin-2-yl]acetic acid
CID 64586820
(3S)-1-(5-fluoropyrimidin-2-yl)piperidine-3-carboxylic acid
CID 95731987
(3R)-1-(5-fluoropyrimidin-2-yl)piperidine-3-carboxylic acid
CID 95731988
(2R)-1-(5-fluoropyrimidin-2-yl)piperidine-2-carboxylic acid
CID 95731993

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]acetic acid (CID 104605875) is 2-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]acetic acid is O=C(O)CC1CCCCN1c1ncc(F)cn1.
What is the InChIKey of 2-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]acetic acid?
The InChIKey is FWCCQXQJVPBSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2/c12-8-6-13-11(14-7-8)15-4-2-1-3-9(15)5-10(16)17/h6-7,9H,1-5H2,(H,16,17).
What are the key properties of 2-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]acetic acid?
2-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]acetic acid has a molecular weight of 239.25 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 104605875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).