8-[5-(methylaminomethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol

C14H21N3O — CID 80636229

IUPAC8-[5-(methylaminomethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCNCc1ccc(N2C3CCC2CC(O)C3)nc1
InChIInChI=1S/C14H21N3O/c1-15-8-10-2-5-14(16-9-10)17-11-3-4-12(17)7-13(18)6-11/h2,5,9,11-13,15,18H,3-4,6-8H2,1H3
InChIKeyJPYOJUJDHDQAOP-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.29
Rot. Bonds3

About 8-[5-(methylaminomethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[5-(methylaminomethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 80636229) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 8-[5-(methylaminomethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[5-(methylaminomethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID80636229
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name8-[5-(methylaminomethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCNCc1ccc(N2C3CCC2CC(O)C3)nc1
InChIInChI=1S/C14H21N3O/c1-15-8-10-2-5-14(16-9-10)17-11-3-4-12(17)7-13(18)6-11/h2,5,9,11-13,15,18H,3-4,6-8H2,1H3
InChIKeyJPYOJUJDHDQAOP-UHFFFAOYSA-N
XLogP1.29
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[5-(methylaminomethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[5-(methylaminomethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 80636229) is 8-[5-(methylaminomethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[5-(methylaminomethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[5-(methylaminomethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol is CNCc1ccc(N2C3CCC2CC(O)C3)nc1.
What is the InChIKey of 8-[5-(methylaminomethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is JPYOJUJDHDQAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-15-8-10-2-5-14(16-9-10)17-11-3-4-12(17)7-13(18)6-11/h2,5,9,11-13,15,18H,3-4,6-8H2,1H3.
What are the key properties of 8-[5-(methylaminomethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[5-(methylaminomethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 247.34 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(methylaminomethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 80636229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).