2-pyrimidin-2-ylpiperidin-2-ol

C9H13N3O — CID 91114760

IUPAC2-pyrimidin-2-ylpiperidin-2-ol
SMILESOC1(c2ncccn2)CCCCN1
InChIInChI=1S/C9H13N3O/c13-9(4-1-2-7-12-9)8-10-5-3-6-11-8/h3,5-6,12-13H,1-2,4,7H2
InChIKeyGHTXGUCSIVQQKG-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.40
Rot. Bonds1

About 2-pyrimidin-2-ylpiperidin-2-ol

2-pyrimidin-2-ylpiperidin-2-ol (PubChem CID 91114760) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-pyrimidin-2-ylpiperidin-2-ol.

Molecular Properties

Compound Name2-pyrimidin-2-ylpiperidin-2-ol
PubChem CID91114760
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-pyrimidin-2-ylpiperidin-2-ol
SMILESOC1(c2ncccn2)CCCCN1
InChIInChI=1S/C9H13N3O/c13-9(4-1-2-7-12-9)8-10-5-3-6-11-8/h3,5-6,12-13H,1-2,4,7H2
InChIKeyGHTXGUCSIVQQKG-UHFFFAOYSA-N
XLogP0.40
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 ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-2-ylpiperidin-2-ol?
The IUPAC name of 2-pyrimidin-2-ylpiperidin-2-ol (CID 91114760) is 2-pyrimidin-2-ylpiperidin-2-ol.
What is the SMILES notation for 2-pyrimidin-2-ylpiperidin-2-ol?
The canonical SMILES for 2-pyrimidin-2-ylpiperidin-2-ol is OC1(c2ncccn2)CCCCN1.
What is the InChIKey of 2-pyrimidin-2-ylpiperidin-2-ol?
The InChIKey is GHTXGUCSIVQQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c13-9(4-1-2-7-12-9)8-10-5-3-6-11-8/h3,5-6,12-13H,1-2,4,7H2.
What are the key properties of 2-pyrimidin-2-ylpiperidin-2-ol?
2-pyrimidin-2-ylpiperidin-2-ol has a molecular weight of 179.22 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-ylpiperidin-2-ol is sourced from PubChem (CID 91114760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).