2-piperidin-3-ylpyrimidin-5-ol

C9H13N3O — CID 117231651

IUPAC2-piperidin-3-ylpyrimidin-5-ol
SMILESOc1cnc(C2CCCNC2)nc1
InChIInChI=1S/C9H13N3O/c13-8-5-11-9(12-6-8)7-2-1-3-10-4-7/h5-7,10,13H,1-4H2
InChIKeyRRSGOVBYTYFJPT-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.65
Rot. Bonds1

About 2-piperidin-3-ylpyrimidin-5-ol

2-piperidin-3-ylpyrimidin-5-ol (PubChem CID 117231651) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-piperidin-3-ylpyrimidin-5-ol.

Molecular Properties

Compound Name2-piperidin-3-ylpyrimidin-5-ol
PubChem CID117231651
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-piperidin-3-ylpyrimidin-5-ol
SMILESOc1cnc(C2CCCNC2)nc1
InChIInChI=1S/C9H13N3O/c13-8-5-11-9(12-6-8)7-2-1-3-10-4-7/h5-7,10,13H,1-4H2
InChIKeyRRSGOVBYTYFJPT-UHFFFAOYSA-N
XLogP0.65
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-piperidin-3-yl]pyrimidine
CID 86328129
2-cyclopentylpyrimidin-5-ol
CID 20542594
4-piperidin-3-yl-1,3-thiazole;hydrobromide
CID 118295102
3-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
CID 75531100
5-(2-fluorophenoxy)-2-piperidin-3-ylpyrimidine
CID 117231387
5-(3-methoxyphenoxy)-2-piperidin-3-ylpyrimidine
CID 117231461
5-(3-methylphenoxy)-2-piperidin-3-ylpyrimidine
CID 117231457
4,6-dimethyl-2-piperidin-3-ylpyrimidine
CID 63317441
4-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)phenol
CID 137002863
3-amino-4-[(3S)-piperidin-3-yl]phenol
CID 130631075
4,6-dimethyl-2-piperidin-3-ylpyrimidine;dihydrochloride
CID 71299007
2-methyl-5-piperidin-3-ylpyrazine
CID 82599606

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-ylpyrimidin-5-ol?
The IUPAC name of 2-piperidin-3-ylpyrimidin-5-ol (CID 117231651) is 2-piperidin-3-ylpyrimidin-5-ol.
What is the SMILES notation for 2-piperidin-3-ylpyrimidin-5-ol?
The canonical SMILES for 2-piperidin-3-ylpyrimidin-5-ol is Oc1cnc(C2CCCNC2)nc1.
What is the InChIKey of 2-piperidin-3-ylpyrimidin-5-ol?
The InChIKey is RRSGOVBYTYFJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c13-8-5-11-9(12-6-8)7-2-1-3-10-4-7/h5-7,10,13H,1-4H2.
What are the key properties of 2-piperidin-3-ylpyrimidin-5-ol?
2-piperidin-3-ylpyrimidin-5-ol has a molecular weight of 179.22 g/mol, XLogP of 0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-ylpyrimidin-5-ol is sourced from PubChem (CID 117231651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).