1-(5-fluoropyrimidin-2-yl)-4-methylpiperidine-4-carboxylic acid

C11H14FN3O2 — CID 104605913

IUPAC1-(5-fluoropyrimidin-2-yl)-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C11H14FN3O2/c1-11(9(16)17)2-4-15(5-3-11)10-13-6-8(12)7-14-10/h6-7H,2-5H2,1H3,(H,16,17)
InChIKeyOBJVSDNNUKCWKV-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.31
Rot. Bonds2

About 1-(5-fluoropyrimidin-2-yl)-4-methylpiperidine-4-carboxylic acid

1-(5-fluoropyrimidin-2-yl)-4-methylpiperidine-4-carboxylic acid (PubChem CID 104605913) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is 1-(5-fluoropyrimidin-2-yl)-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-fluoropyrimidin-2-yl)-4-methylpiperidine-4-carboxylic acid
PubChem CID104605913
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Name1-(5-fluoropyrimidin-2-yl)-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C11H14FN3O2/c1-11(9(16)17)2-4-15(5-3-11)10-13-6-8(12)7-14-10/h6-7H,2-5H2,1H3,(H,16,17)
InChIKeyOBJVSDNNUKCWKV-UHFFFAOYSA-N
XLogP1.31
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Pyrimidin-2-yl)piperidine-4-carboxylic acid
CID 2767267
1-(5-Bromopyrimidin-2-yl)piperidine-4-carboxylic acid
CID 2761041
1-(2-Chloropyrimidin-4-yl)piperidine-4-carboxylic acid
CID 45789847
1-(Pyrimidin-4-yl)piperidine-4-carboxylic acid hydrochloride
CID 67239180
8-(5-Fluoropyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one
CID 97385434
3-(5-Fluoropyrimidin-2-yl)propanoic acid
CID 131084702
1-(5-Fluoropyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid
CID 56879120
8-(5-Fluoropyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 118742584
Ethyl 4-(4-(5-fluoro-2-pyrimidinyl)piperazin-1-yl)butanoate
CID 15729889
1-(Pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 22721856
1-[2-(Trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 43829379
2-[1-(5-Fluoropyrimidin-2-yl)piperidin-4-yl]acetic acid
CID 57962475

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropyrimidin-2-yl)-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(5-fluoropyrimidin-2-yl)-4-methylpiperidine-4-carboxylic acid (CID 104605913) is 1-(5-fluoropyrimidin-2-yl)-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-fluoropyrimidin-2-yl)-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-fluoropyrimidin-2-yl)-4-methylpiperidine-4-carboxylic acid is CC1(C(=O)O)CCN(c2ncc(F)cn2)CC1.
What is the InChIKey of 1-(5-fluoropyrimidin-2-yl)-4-methylpiperidine-4-carboxylic acid?
The InChIKey is OBJVSDNNUKCWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2/c1-11(9(16)17)2-4-15(5-3-11)10-13-6-8(12)7-14-10/h6-7H,2-5H2,1H3,(H,16,17).
What are the key properties of 1-(5-fluoropyrimidin-2-yl)-4-methylpiperidine-4-carboxylic acid?
1-(5-fluoropyrimidin-2-yl)-4-methylpiperidine-4-carboxylic acid has a molecular weight of 239.25 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoropyrimidin-2-yl)-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 104605913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).