2-(4-hydroxypiperidin-1-yl)pyrimidine-5-carboxylic acid

C10H13N3O3 — CID 53415565

IUPAC2-(4-hydroxypiperidin-1-yl)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(N2CCC(O)CC2)nc1
InChIInChI=1S/C10H13N3O3/c14-8-1-3-13(4-2-8)10-11-5-7(6-12-10)9(15)16/h5-6,8,14H,1-4H2,(H,15,16)
InChIKeyMMKPYLFNEAWURD-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.14
Rot. Bonds2

About 2-(4-hydroxypiperidin-1-yl)pyrimidine-5-carboxylic acid

2-(4-hydroxypiperidin-1-yl)pyrimidine-5-carboxylic acid (PubChem CID 53415565) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-(4-hydroxypiperidin-1-yl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-hydroxypiperidin-1-yl)pyrimidine-5-carboxylic acid
PubChem CID53415565
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name2-(4-hydroxypiperidin-1-yl)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(N2CCC(O)CC2)nc1
InChIInChI=1S/C10H13N3O3/c14-8-1-3-13(4-2-8)10-11-5-7(6-12-10)9(15)16/h5-6,8,14H,1-4H2,(H,15,16)
InChIKeyMMKPYLFNEAWURD-UHFFFAOYSA-N
XLogP0.14
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-ol
CID 58057790
1-[5-(hydroxymethyl)pyrimidin-2-yl]piperidin-4-ol
CID 53415334
2-[5-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylic acid
CID 172843622
1-(5-chloropyrimidin-2-yl)pyrrolidin-3-ol
CID 66569913
(3R)-1-(5-iodopyrimidin-2-yl)pyrrolidin-3-ol
CID 104843548
1-(5-methoxycarbonylpyrimidin-2-yl)piperidine-4-carboxylic acid
CID 156541249
[(3R)-3-hydroxypyrrolidin-1-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone
CID 111561597
3-[(3R)-3-hydroxypyrrolidin-1-yl]-1,2,4-triazine-6-carboxamide
CID 175895695
N-[2-(3-hydroxypyrrolidin-1-yl)pyrimidin-5-yl]formamide
CID 141173147
2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 71208672
2-[3-carboxy-3-(hydroxymethyl)azetidin-1-yl]pyrimidine-5-carboxylic acid
CID 154679421
2-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]piperidin-1-yl]pyrimidine-5-carboxylic acid
CID 178146520

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxypiperidin-1-yl)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(4-hydroxypiperidin-1-yl)pyrimidine-5-carboxylic acid (CID 53415565) is 2-(4-hydroxypiperidin-1-yl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(4-hydroxypiperidin-1-yl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(4-hydroxypiperidin-1-yl)pyrimidine-5-carboxylic acid is O=C(O)c1cnc(N2CCC(O)CC2)nc1.
What is the InChIKey of 2-(4-hydroxypiperidin-1-yl)pyrimidine-5-carboxylic acid?
The InChIKey is MMKPYLFNEAWURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-8-1-3-13(4-2-8)10-11-5-7(6-12-10)9(15)16/h5-6,8,14H,1-4H2,(H,15,16).
What are the key properties of 2-(4-hydroxypiperidin-1-yl)pyrimidine-5-carboxylic acid?
2-(4-hydroxypiperidin-1-yl)pyrimidine-5-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxypiperidin-1-yl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 53415565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).