4-(4-methyl-2-pyridinyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol

C14H18N2O — CID 114247610

IUPAC4-(4-methyl-2-pyridinyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol
SMILESCc1ccnc(N2CC3CC4CC3C2C4O)c1
InChIInChI=1S/C14H18N2O/c1-8-2-3-15-12(4-8)16-7-10-5-9-6-11(10)13(16)14(9)17/h2-4,9-11,13-14,17H,5-7H2,1H3
InChIKeyIJPHQBSTKOCPKZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.60
Rot. Bonds1

About 4-(4-methyl-2-pyridinyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol

4-(4-methyl-2-pyridinyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol (PubChem CID 114247610) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-(4-methyl-2-pyridinyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol.

Molecular Properties

Compound Name4-(4-methyl-2-pyridinyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol
PubChem CID114247610
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name4-(4-methyl-2-pyridinyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol
SMILESCc1ccnc(N2CC3CC4CC3C2C4O)c1
InChIInChI=1S/C14H18N2O/c1-8-2-3-15-12(4-8)16-7-10-5-9-6-11(10)13(16)14(9)17/h2-4,9-11,13-14,17H,5-7H2,1H3
InChIKeyIJPHQBSTKOCPKZ-UHFFFAOYSA-N
XLogP1.60
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-2-pyridinyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
The IUPAC name of 4-(4-methyl-2-pyridinyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol (CID 114247610) is 4-(4-methyl-2-pyridinyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol.
What is the SMILES notation for 4-(4-methyl-2-pyridinyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
The canonical SMILES for 4-(4-methyl-2-pyridinyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol is Cc1ccnc(N2CC3CC4CC3C2C4O)c1.
What is the InChIKey of 4-(4-methyl-2-pyridinyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
The InChIKey is IJPHQBSTKOCPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-8-2-3-15-12(4-8)16-7-10-5-9-6-11(10)13(16)14(9)17/h2-4,9-11,13-14,17H,5-7H2,1H3.
What are the key properties of 4-(4-methyl-2-pyridinyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
4-(4-methyl-2-pyridinyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol has a molecular weight of 230.31 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-2-pyridinyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol is sourced from PubChem (CID 114247610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).