N-(2,6-dimethylpiperidin-1-yl)-1-pyridin-4-ylmethanimine

C13H19N3 — CID 3257538

IUPACN-(2,6-dimethylpiperidin-1-yl)-1-pyridin-4-ylmethanimine
SMILESCC1CCCC(C)N1N=Cc1ccncc1
InChIInChI=1S/C13H19N3/c1-11-4-3-5-12(2)16(11)15-10-13-6-8-14-9-7-13/h6-12H,3-5H2,1-2H3
InChIKeySALUSPCEBAITJQ-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.68
Rot. Bonds2

About N-(2,6-dimethylpiperidin-1-yl)-1-pyridin-4-ylmethanimine

N-(2,6-dimethylpiperidin-1-yl)-1-pyridin-4-ylmethanimine (PubChem CID 3257538) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is N-(2,6-dimethylpiperidin-1-yl)-1-pyridin-4-ylmethanimine.

Molecular Properties

Compound NameN-(2,6-dimethylpiperidin-1-yl)-1-pyridin-4-ylmethanimine
PubChem CID3257538
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC NameN-(2,6-dimethylpiperidin-1-yl)-1-pyridin-4-ylmethanimine
SMILESCC1CCCC(C)N1N=Cc1ccncc1
InChIInChI=1S/C13H19N3/c1-11-4-3-5-12(2)16(11)15-10-13-6-8-14-9-7-13/h6-12H,3-5H2,1-2H3
InChIKeySALUSPCEBAITJQ-UHFFFAOYSA-N
XLogP2.68
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylpiperidin-1-yl)-1-pyridin-4-ylmethanimine?
The IUPAC name of N-(2,6-dimethylpiperidin-1-yl)-1-pyridin-4-ylmethanimine (CID 3257538) is N-(2,6-dimethylpiperidin-1-yl)-1-pyridin-4-ylmethanimine.
What is the SMILES notation for N-(2,6-dimethylpiperidin-1-yl)-1-pyridin-4-ylmethanimine?
The canonical SMILES for N-(2,6-dimethylpiperidin-1-yl)-1-pyridin-4-ylmethanimine is CC1CCCC(C)N1N=Cc1ccncc1.
What is the InChIKey of N-(2,6-dimethylpiperidin-1-yl)-1-pyridin-4-ylmethanimine?
The InChIKey is SALUSPCEBAITJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-11-4-3-5-12(2)16(11)15-10-13-6-8-14-9-7-13/h6-12H,3-5H2,1-2H3.
What are the key properties of N-(2,6-dimethylpiperidin-1-yl)-1-pyridin-4-ylmethanimine?
N-(2,6-dimethylpiperidin-1-yl)-1-pyridin-4-ylmethanimine has a molecular weight of 217.32 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylpiperidin-1-yl)-1-pyridin-4-ylmethanimine is sourced from PubChem (CID 3257538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).