2-pyridin-3-yladamantan-2-ol

C15H19NO — CID 86216837

IUPAC2-pyridin-3-yladamantan-2-ol
SMILESOC1(c2cccnc2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H19NO/c17-15(12-2-1-3-16-9-12)13-5-10-4-11(7-13)8-14(15)6-10/h1-3,9-11,13-14,17H,4-8H2
InChIKeyKSDUNQAPZCPEBB-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.73
Rot. Bonds1

About 2-pyridin-3-yladamantan-2-ol

2-pyridin-3-yladamantan-2-ol (PubChem CID 86216837) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-pyridin-3-yladamantan-2-ol.

Molecular Properties

Compound Name2-pyridin-3-yladamantan-2-ol
PubChem CID86216837
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name2-pyridin-3-yladamantan-2-ol
SMILESOC1(c2cccnc2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H19NO/c17-15(12-2-1-3-16-9-12)13-5-10-4-11(7-13)8-14(15)6-10/h1-3,9-11,13-14,17H,4-8H2
InChIKeyKSDUNQAPZCPEBB-UHFFFAOYSA-N
XLogP2.73
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yladamantan-2-ol?
The IUPAC name of 2-pyridin-3-yladamantan-2-ol (CID 86216837) is 2-pyridin-3-yladamantan-2-ol.
What is the SMILES notation for 2-pyridin-3-yladamantan-2-ol?
The canonical SMILES for 2-pyridin-3-yladamantan-2-ol is OC1(c2cccnc2)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-pyridin-3-yladamantan-2-ol?
The InChIKey is KSDUNQAPZCPEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c17-15(12-2-1-3-16-9-12)13-5-10-4-11(7-13)8-14(15)6-10/h1-3,9-11,13-14,17H,4-8H2.
What are the key properties of 2-pyridin-3-yladamantan-2-ol?
2-pyridin-3-yladamantan-2-ol has a molecular weight of 229.32 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yladamantan-2-ol is sourced from PubChem (CID 86216837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).