N-(1,2-dihydropyridin-4-ylmethylideneamino)-1-piperidin-4-ylmethanimine

C12H18N4 — CID 5248446

IUPACN-(1,2-dihydropyridin-4-ylmethylideneamino)-1-piperidin-4-ylmethanimine
SMILESC1=CC(C=NN=CC2CCNCC2)=CCN1
InChIInChI=1S/C12H18N4/c1-5-13-6-2-11(1)9-15-16-10-12-3-7-14-8-4-12/h1-2,5,9-10,12-14H,3-4,6-8H2
InChIKeyFKJDUFXPKAFRAH-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.09
Rot. Bonds3

About N-(1,2-dihydropyridin-4-ylmethylideneamino)-1-piperidin-4-ylmethanimine

N-(1,2-dihydropyridin-4-ylmethylideneamino)-1-piperidin-4-ylmethanimine (PubChem CID 5248446) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is N-(1,2-dihydropyridin-4-ylmethylideneamino)-1-piperidin-4-ylmethanimine.

Molecular Properties

Compound NameN-(1,2-dihydropyridin-4-ylmethylideneamino)-1-piperidin-4-ylmethanimine
PubChem CID5248446
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC NameN-(1,2-dihydropyridin-4-ylmethylideneamino)-1-piperidin-4-ylmethanimine
SMILESC1=CC(C=NN=CC2CCNCC2)=CCN1
InChIInChI=1S/C12H18N4/c1-5-13-6-2-11(1)9-15-16-10-12-3-7-14-8-4-12/h1-2,5,9-10,12-14H,3-4,6-8H2
InChIKeyFKJDUFXPKAFRAH-UHFFFAOYSA-N
XLogP1.09
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(1,2-dihydropyridin-4-ylmethyl)-N-(piperidin-4-ylmethyl)butane-1,4-diamine
CID 5232194
N-[2-(1,2-dihydropyridin-4-ylmethylideneamino)ethyl]-1-piperidin-4-ylmethanimine
CID 5232462
N-[4-(1,2-dihydropyridin-4-ylmethylideneamino)cyclohexyl]-1-piperidin-4-ylmethanimine
CID 11980616
dicopper;acetonitrile;azanide;1-piperidin-4-yl-N-[2-(2H-pyridin-1-id-4-ylmethylideneamino)ethyl]methanimine
CID 50921186

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydropyridin-4-ylmethylideneamino)-1-piperidin-4-ylmethanimine?
The IUPAC name of N-(1,2-dihydropyridin-4-ylmethylideneamino)-1-piperidin-4-ylmethanimine (CID 5248446) is N-(1,2-dihydropyridin-4-ylmethylideneamino)-1-piperidin-4-ylmethanimine.
What is the SMILES notation for N-(1,2-dihydropyridin-4-ylmethylideneamino)-1-piperidin-4-ylmethanimine?
The canonical SMILES for N-(1,2-dihydropyridin-4-ylmethylideneamino)-1-piperidin-4-ylmethanimine is C1=CC(C=NN=CC2CCNCC2)=CCN1.
What is the InChIKey of N-(1,2-dihydropyridin-4-ylmethylideneamino)-1-piperidin-4-ylmethanimine?
The InChIKey is FKJDUFXPKAFRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-5-13-6-2-11(1)9-15-16-10-12-3-7-14-8-4-12/h1-2,5,9-10,12-14H,3-4,6-8H2.
What are the key properties of N-(1,2-dihydropyridin-4-ylmethylideneamino)-1-piperidin-4-ylmethanimine?
N-(1,2-dihydropyridin-4-ylmethylideneamino)-1-piperidin-4-ylmethanimine has a molecular weight of 218.30 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydropyridin-4-ylmethylideneamino)-1-piperidin-4-ylmethanimine is sourced from PubChem (CID 5248446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).