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

C14H22N4 — CID 5232462

IUPACN-[2-(1,2-dihydropyridin-4-ylmethylideneamino)ethyl]-1-piperidin-4-ylmethanimine
SMILESC1=CC(/C=N/CC/N=C/C2CCNCC2)=CCN1
InChIInChI=1S/C14H22N4/c1-5-15-6-2-13(1)11-17-9-10-18-12-14-3-7-16-8-4-14/h1-2,5,11-12,14-16H,3-4,6-10H2/b17-11+,18-12+
InChIKeyDOMJNSPNKQTWBQ-JYFOCSDGSA-N
MW246.36 g/mol
LogP1.17
Rot. Bonds5

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

N-[2-(1,2-dihydropyridin-4-ylmethylideneamino)ethyl]-1-piperidin-4-ylmethanimine (PubChem CID 5232462) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is N-[2-(1,2-dihydropyridin-4-ylmethylideneamino)ethyl]-1-piperidin-4-ylmethanimine.

Molecular Properties

Compound NameN-[2-(1,2-dihydropyridin-4-ylmethylideneamino)ethyl]-1-piperidin-4-ylmethanimine
PubChem CID5232462
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC NameN-[2-(1,2-dihydropyridin-4-ylmethylideneamino)ethyl]-1-piperidin-4-ylmethanimine
SMILESC1=CC(/C=N/CC/N=C/C2CCNCC2)=CCN1
InChIInChI=1S/C14H22N4/c1-5-15-6-2-13(1)11-17-9-10-18-12-14-3-7-16-8-4-14/h1-2,5,11-12,14-16H,3-4,6-10H2/b17-11+,18-12+
InChIKeyDOMJNSPNKQTWBQ-JYFOCSDGSA-N
XLogP1.17
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(1,2-dihydropyridin-4-ylmethylideneamino)ethyl]-1-piperidin-4-ylmethanimine with MolForge

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

Launch Full Analysis

Related Compounds

2-ethenyl-N-(piperidin-4-ylmethyl)hexa-2,4-dien-1-imine
CID 123822692
(9Z,11E)-4-(piperazin-1-ylmethyl)-1,7-diazacyclododeca-7,9,11-triene
CID 156711968
dicopper;acetonitrile;azanide;1-piperidin-4-yl-N-[2-(2H-pyridin-1-id-4-ylmethylideneamino)ethyl]methanimine
CID 5232461
N-[2-[1-(1,2-dihydropyridin-4-yl)ethylideneamino]ethyl]-1-piperidin-4-ylethanimine
CID 5232464
N-(1,2-dihydropyridin-4-ylmethylideneamino)-1-piperidin-4-ylmethanimine
CID 5248446
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-[2-(1,2-dihydropyridin-4-ylmethylideneamino)ethyl]-1-piperidin-4-ylmethanimine?
The IUPAC name of N-[2-(1,2-dihydropyridin-4-ylmethylideneamino)ethyl]-1-piperidin-4-ylmethanimine (CID 5232462) is N-[2-(1,2-dihydropyridin-4-ylmethylideneamino)ethyl]-1-piperidin-4-ylmethanimine.
What is the SMILES notation for N-[2-(1,2-dihydropyridin-4-ylmethylideneamino)ethyl]-1-piperidin-4-ylmethanimine?
The canonical SMILES for N-[2-(1,2-dihydropyridin-4-ylmethylideneamino)ethyl]-1-piperidin-4-ylmethanimine is C1=CC(/C=N/CC/N=C/C2CCNCC2)=CCN1.
What is the InChIKey of N-[2-(1,2-dihydropyridin-4-ylmethylideneamino)ethyl]-1-piperidin-4-ylmethanimine?
The InChIKey is DOMJNSPNKQTWBQ-JYFOCSDGSA-N. The full InChI is InChI=1S/C14H22N4/c1-5-15-6-2-13(1)11-17-9-10-18-12-14-3-7-16-8-4-14/h1-2,5,11-12,14-16H,3-4,6-10H2/b17-11+,18-12+.
What are the key properties of N-[2-(1,2-dihydropyridin-4-ylmethylideneamino)ethyl]-1-piperidin-4-ylmethanimine?
N-[2-(1,2-dihydropyridin-4-ylmethylideneamino)ethyl]-1-piperidin-4-ylmethanimine has a molecular weight of 246.36 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2-dihydropyridin-4-ylmethylideneamino)ethyl]-1-piperidin-4-ylmethanimine is sourced from PubChem (CID 5232462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).