4-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]piperazine-2-carboxylic acid

C14H21N5O3 — CID 56880424

IUPAC4-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]piperazine-2-carboxylic acid
SMILESO=C(O)C1CN(c2nccc(N3CCC(O)CC3)n2)CCN1
InChIInChI=1S/C14H21N5O3/c20-10-2-6-18(7-3-10)12-1-4-16-14(17-12)19-8-5-15-11(9-19)13(21)22/h1,4,10-11,15,20H,2-3,5-9H2,(H,21,22)
InChIKeyYXUHCILGEJRECZ-UHFFFAOYSA-N
MW307.35 g/mol
LogP-0.70
Rot. Bonds3

About 4-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]piperazine-2-carboxylic acid

4-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]piperazine-2-carboxylic acid (PubChem CID 56880424) has the molecular formula C14H21N5O3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]piperazine-2-carboxylic acid.

Molecular Properties

Compound Name4-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]piperazine-2-carboxylic acid
PubChem CID56880424
Molecular FormulaC14H21N5O3
Molecular Weight307.35 g/mol
Exact Mass307.16
IUPAC Name4-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]piperazine-2-carboxylic acid
SMILESO=C(O)C1CN(c2nccc(N3CCC(O)CC3)n2)CCN1
InChIInChI=1S/C14H21N5O3/c20-10-2-6-18(7-3-10)12-1-4-16-14(17-12)19-8-5-15-11(9-19)13(21)22/h1,4,10-11,15,20H,2-3,5-9H2,(H,21,22)
InChIKeyYXUHCILGEJRECZ-UHFFFAOYSA-N
XLogP-0.70
TPSA101.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-4-pyrimidin-2-ylpiperazine-2-carboxylic acid
CID 97169312
N-[(3S)-1-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]pyrrolidin-3-yl]acetamide
CID 95130529
(3S,4R)-1-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]-4-pyridin-4-ylpyrrolidine-3-carboxylic acid
CID 72850310
1-[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 50982280
4-pyridin-2-ylpiperazine-2-carboxylic acid
CID 44607823
1-[2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]pyrimidin-4-yl]piperidin-4-ol;dihydrochloride
CID 154898969
(2R)-4-(4,6-dimethylpyrimidin-2-yl)piperazine-2-carboxylic acid
CID 97176235
1-[2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyrimidin-4-yl]piperidin-4-ol
CID 31192918
2,4-di(piperazin-1-yl)pyrimidine
CID 6610945
2-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide
CID 123733519
(2R)-4-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-2-carboxylic acid
CID 95554820
4-(3-hydroxy-2-pyridinyl)piperazine-2-carboxylic acid
CID 71649700

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]piperazine-2-carboxylic acid?
The IUPAC name of 4-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]piperazine-2-carboxylic acid (CID 56880424) is 4-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]piperazine-2-carboxylic acid.
What is the SMILES notation for 4-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]piperazine-2-carboxylic acid?
The canonical SMILES for 4-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]piperazine-2-carboxylic acid is O=C(O)C1CN(c2nccc(N3CCC(O)CC3)n2)CCN1.
What is the InChIKey of 4-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]piperazine-2-carboxylic acid?
The InChIKey is YXUHCILGEJRECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O3/c20-10-2-6-18(7-3-10)12-1-4-16-14(17-12)19-8-5-15-11(9-19)13(21)22/h1,4,10-11,15,20H,2-3,5-9H2,(H,21,22).
What are the key properties of 4-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]piperazine-2-carboxylic acid?
4-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]piperazine-2-carboxylic acid has a molecular weight of 307.35 g/mol, XLogP of -0.70, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]piperazine-2-carboxylic acid is sourced from PubChem (CID 56880424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).