N-[2-[1-(1,2-dihydropyridin-4-yl)ethylideneamino]ethyl]-1-piperidin-4-ylethanimine

C16H26N4 — CID 5232464

IUPACN-[2-[1-(1,2-dihydropyridin-4-yl)ethylideneamino]ethyl]-1-piperidin-4-ylethanimine
SMILESC/C(=N\CC/N=C(\C)C1CCNCC1)C1=CCNC=C1
InChIInChI=1S/C16H26N4/c1-13(15-3-7-17-8-4-15)19-11-12-20-14(2)16-5-9-18-10-6-16/h3-4,7,16-18H,5-6,8-12H2,1-2H3/b19-13+,20-14+
InChIKeyNUQLEZXZOZORRE-IWGRKNQJSA-N
MW274.41 g/mol
LogP1.95
Rot. Bonds5

About N-[2-[1-(1,2-dihydropyridin-4-yl)ethylideneamino]ethyl]-1-piperidin-4-ylethanimine

N-[2-[1-(1,2-dihydropyridin-4-yl)ethylideneamino]ethyl]-1-piperidin-4-ylethanimine (PubChem CID 5232464) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[2-[1-(1,2-dihydropyridin-4-yl)ethylideneamino]ethyl]-1-piperidin-4-ylethanimine.

Molecular Properties

Compound NameN-[2-[1-(1,2-dihydropyridin-4-yl)ethylideneamino]ethyl]-1-piperidin-4-ylethanimine
PubChem CID5232464
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC NameN-[2-[1-(1,2-dihydropyridin-4-yl)ethylideneamino]ethyl]-1-piperidin-4-ylethanimine
SMILESC/C(=N\CC/N=C(\C)C1CCNCC1)C1=CCNC=C1
InChIInChI=1S/C16H26N4/c1-13(15-3-7-17-8-4-15)19-11-12-20-14(2)16-5-9-18-10-6-16/h3-4,7,16-18H,5-6,8-12H2,1-2H3/b19-13+,20-14+
InChIKeyNUQLEZXZOZORRE-IWGRKNQJSA-N
XLogP1.95
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.95
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'}

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Related Compounds

N-[(5Z,6E)-6-(aminomethylidene)-3-(6-ethyl-5-fluoro-2,3-dihydropyridin-3-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085515
N',N'-diethyl-N-[[1-[1-(4-fluoro-6-iminocyclohexa-2,4-dien-1-yl)-3-methylbut-2-enyl]piperidin-4-yl]methyl]ethane-1,2-diamine
CID 129280133
(1Z,4Z)-6-ethylimino-N'-[2-(4-fluoropiperidin-4-yl)ethyl]-3-methylidene-2-piperidin-4-ylhepta-1,4-diene-1,7-diamine
CID 138711447
[4-[3-(2,5-dimethylhex-2-en-3-ylamino)-5-fluoropiperidin-1-yl]-5-methylidene-6-[(Z)-prop-1-enyl]iminocyclohexa-1,3-dien-1-yl]cyanamide
CID 170238749
2-[4-[2-(1-hydroxy-4-pyridinylidene)-7-methylbenzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine
CID 58730833
4-methanidylpiperidine;5-methyl-2H-pyridin-2-ide;yttrium
CID 59718538
Spiro[1-benzazepine-4,2'-piperidine]
CID 67456831
2-piperidin-4-yl-2H-indole
CID 69374500
N-[(5Z,6E)-6-(aminomethylidene)-3-(6-methyl-3,4-dihydropyridin-3-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085394
N-[(5Z,6E)-6-(aminomethylidene)-3-(6-ethyl-3,4-dihydropyridin-3-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085447
N-[(5Z,6E)-6-(aminomethylidene)-3-(6-methyl-2,3-dihydropyridin-2-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085531
1,2,6a,7-Tetrahydro-1,10-phenanthroline
CID 90050512

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(1,2-dihydropyridin-4-yl)ethylideneamino]ethyl]-1-piperidin-4-ylethanimine?
The IUPAC name of N-[2-[1-(1,2-dihydropyridin-4-yl)ethylideneamino]ethyl]-1-piperidin-4-ylethanimine (CID 5232464) is N-[2-[1-(1,2-dihydropyridin-4-yl)ethylideneamino]ethyl]-1-piperidin-4-ylethanimine.
What is the SMILES notation for N-[2-[1-(1,2-dihydropyridin-4-yl)ethylideneamino]ethyl]-1-piperidin-4-ylethanimine?
The canonical SMILES for N-[2-[1-(1,2-dihydropyridin-4-yl)ethylideneamino]ethyl]-1-piperidin-4-ylethanimine is C/C(=N\CC/N=C(\C)C1CCNCC1)C1=CCNC=C1.
What is the InChIKey of N-[2-[1-(1,2-dihydropyridin-4-yl)ethylideneamino]ethyl]-1-piperidin-4-ylethanimine?
The InChIKey is NUQLEZXZOZORRE-IWGRKNQJSA-N. The full InChI is InChI=1S/C16H26N4/c1-13(15-3-7-17-8-4-15)19-11-12-20-14(2)16-5-9-18-10-6-16/h3-4,7,16-18H,5-6,8-12H2,1-2H3/b19-13+,20-14+.
What are the key properties of N-[2-[1-(1,2-dihydropyridin-4-yl)ethylideneamino]ethyl]-1-piperidin-4-ylethanimine?
N-[2-[1-(1,2-dihydropyridin-4-yl)ethylideneamino]ethyl]-1-piperidin-4-ylethanimine has a molecular weight of 274.41 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(1,2-dihydropyridin-4-yl)ethylideneamino]ethyl]-1-piperidin-4-ylethanimine is sourced from PubChem (CID 5232464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).