1-(5-fluoropyrimidin-2-yl)-3-methylpiperidine-3-carboxylic acid

C11H14FN3O2 — CID 104605915

IUPAC1-(5-fluoropyrimidin-2-yl)-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(c2ncc(F)cn2)C1
InChIInChI=1S/C11H14FN3O2/c1-11(9(16)17)3-2-4-15(7-11)10-13-5-8(12)6-14-10/h5-6H,2-4,7H2,1H3,(H,16,17)
InChIKeyXRKYYFXKTQQVOP-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.31
Rot. Bonds2

About 1-(5-fluoropyrimidin-2-yl)-3-methylpiperidine-3-carboxylic acid

1-(5-fluoropyrimidin-2-yl)-3-methylpiperidine-3-carboxylic acid (PubChem CID 104605915) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is 1-(5-fluoropyrimidin-2-yl)-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-fluoropyrimidin-2-yl)-3-methylpiperidine-3-carboxylic acid
PubChem CID104605915
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Name1-(5-fluoropyrimidin-2-yl)-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(c2ncc(F)cn2)C1
InChIInChI=1S/C11H14FN3O2/c1-11(9(16)17)3-2-4-15(7-11)10-13-5-8(12)6-14-10/h5-6H,2-4,7H2,1H3,(H,16,17)
InChIKeyXRKYYFXKTQQVOP-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-3-carboxylic acid
CID 4736951
1-(5-bromopyrimidin-2-yl)piperidine-3-carboxylic Acid
CID 2761042
8-(5-Fluoro-2-pyrimidinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56890794
1-(Pyrimidin-4-yl)piperidine-3-carboxylic acid hydrochloride
CID 177800057
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
2-(1-Pyrimidin-2-ylpiperidin-4-yl)acetic acid;2,2,2-trifluoroacetic acid
CID 66879902
2-[1-(5-Fluoropyrimidin-2-yl)piperidin-4-yl]acetic acid;2,2,2-trifluoroacetic acid
CID 66881245
[2-[1-(5-Fluoropyrimidin-2-yl)piperidin-4-yl]acetyl] 2,2,2-trifluoroacetate
CID 87189347
1-(5-Fluoropyrimidin-2-yl)-4-methylpiperidine-4-carboxylic acid
CID 104605913
1-(5-Fluoro-2-pyrimidinyl)-2-methyl-4-piperidinecarboxylic acid
CID 106742541

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropyrimidin-2-yl)-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(5-fluoropyrimidin-2-yl)-3-methylpiperidine-3-carboxylic acid (CID 104605915) is 1-(5-fluoropyrimidin-2-yl)-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-fluoropyrimidin-2-yl)-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(5-fluoropyrimidin-2-yl)-3-methylpiperidine-3-carboxylic acid is CC1(C(=O)O)CCCN(c2ncc(F)cn2)C1.
What is the InChIKey of 1-(5-fluoropyrimidin-2-yl)-3-methylpiperidine-3-carboxylic acid?
The InChIKey is XRKYYFXKTQQVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2/c1-11(9(16)17)3-2-4-15(7-11)10-13-5-8(12)6-14-10/h5-6H,2-4,7H2,1H3,(H,16,17).
What are the key properties of 1-(5-fluoropyrimidin-2-yl)-3-methylpiperidine-3-carboxylic acid?
1-(5-fluoropyrimidin-2-yl)-3-methylpiperidine-3-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)-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 104605915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).