N-(4-methoxy-5-piperidin-4-yl-2-pyridinyl)methanimine

C12H17N3O — CID 163604707

IUPACN-(4-methoxy-5-piperidin-4-yl-2-pyridinyl)methanimine
SMILESC=Nc1cc(OC)c(C2CCNCC2)cn1
InChIInChI=1S/C12H17N3O/c1-13-12-7-11(16-2)10(8-15-12)9-3-5-14-6-4-9/h7-9,14H,1,3-6H2,2H3
InChIKeyHASUKPAHSGLRQL-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.89
Rot. Bonds3

About N-(4-methoxy-5-piperidin-4-yl-2-pyridinyl)methanimine

N-(4-methoxy-5-piperidin-4-yl-2-pyridinyl)methanimine (PubChem CID 163604707) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-(4-methoxy-5-piperidin-4-yl-2-pyridinyl)methanimine.

Molecular Properties

Compound NameN-(4-methoxy-5-piperidin-4-yl-2-pyridinyl)methanimine
PubChem CID163604707
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-(4-methoxy-5-piperidin-4-yl-2-pyridinyl)methanimine
SMILESC=Nc1cc(OC)c(C2CCNCC2)cn1
InChIInChI=1S/C12H17N3O/c1-13-12-7-11(16-2)10(8-15-12)9-3-5-14-6-4-9/h7-9,14H,1,3-6H2,2H3
InChIKeyHASUKPAHSGLRQL-UHFFFAOYSA-N
XLogP1.89
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-(4-methoxy-5-piperidin-4-yl-2-pyridinyl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-5-piperidin-4-yl-2-pyridinyl)methanimine?
The IUPAC name of N-(4-methoxy-5-piperidin-4-yl-2-pyridinyl)methanimine (CID 163604707) is N-(4-methoxy-5-piperidin-4-yl-2-pyridinyl)methanimine.
What is the SMILES notation for N-(4-methoxy-5-piperidin-4-yl-2-pyridinyl)methanimine?
The canonical SMILES for N-(4-methoxy-5-piperidin-4-yl-2-pyridinyl)methanimine is C=Nc1cc(OC)c(C2CCNCC2)cn1.
What is the InChIKey of N-(4-methoxy-5-piperidin-4-yl-2-pyridinyl)methanimine?
The InChIKey is HASUKPAHSGLRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-13-12-7-11(16-2)10(8-15-12)9-3-5-14-6-4-9/h7-9,14H,1,3-6H2,2H3.
What are the key properties of N-(4-methoxy-5-piperidin-4-yl-2-pyridinyl)methanimine?
N-(4-methoxy-5-piperidin-4-yl-2-pyridinyl)methanimine has a molecular weight of 219.29 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-5-piperidin-4-yl-2-pyridinyl)methanimine is sourced from PubChem (CID 163604707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).