2-ethenyl-N-(piperidin-4-ylmethyl)hexa-2,4-dien-1-imine

C14H22N2 — CID 123822692

IUPAC2-ethenyl-N-(piperidin-4-ylmethyl)hexa-2,4-dien-1-imine
SMILESC=CC(=CC=CC)/C=N/CC1CCNCC1
InChIInChI=1S/C14H22N2/c1-3-5-6-13(4-2)11-16-12-14-7-9-15-10-8-14/h3-6,11,14-15H,2,7-10,12H2,1H3/b5-3?,13-6?,16-11+
InChIKeyBQDUKYFKFTXLOE-UAIONEDDSA-N
MW218.34 g/mol
LogP2.75
Rot. Bonds5

About 2-ethenyl-N-(piperidin-4-ylmethyl)hexa-2,4-dien-1-imine

2-ethenyl-N-(piperidin-4-ylmethyl)hexa-2,4-dien-1-imine (PubChem CID 123822692) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-ethenyl-N-(piperidin-4-ylmethyl)hexa-2,4-dien-1-imine.

Molecular Properties

Compound Name2-ethenyl-N-(piperidin-4-ylmethyl)hexa-2,4-dien-1-imine
PubChem CID123822692
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-ethenyl-N-(piperidin-4-ylmethyl)hexa-2,4-dien-1-imine
SMILESC=CC(=CC=CC)/C=N/CC1CCNCC1
InChIInChI=1S/C14H22N2/c1-3-5-6-13(4-2)11-16-12-14-7-9-15-10-8-14/h3-6,11,14-15H,2,7-10,12H2,1H3/b5-3?,13-6?,16-11+
InChIKeyBQDUKYFKFTXLOE-UAIONEDDSA-N
XLogP2.75
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1E)-1-[[(E)-but-2-enylidene]amino]-2-fluoro-3-methyl-N-(piperidin-4-ylmethyl)buta-1,3-dien-1-amine
CID 173997447
5-Methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine
CID 91459524
2-Methyl-5-piperidin-4-yl-2,3-dihydropyridine
CID 123831605
(Z)-N-methyl-3-(4-methylcyclohexen-1-yl)-2-piperidin-4-ylprop-2-en-1-imine
CID 126517181
5-piperidin-4-yl-2H-azepine
CID 141914721
2-(2,3-dihydropyridin-4-yl)-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]ethanamine
CID 142068101
(2Z,3E,5E)-5-ethenyl-3,6-dimethyl-2-(2-methylprop-2-enylidene)octa-3,5,7-trien-1-imine;4-methylpiperidine
CID 145300567
molecular hydrogen;N-[(1Z,3Z)-2-piperidin-4-ylpenta-1,3-dienyl]methanimine
CID 156796186
(2Z)-2-ethyl-N-methyl-4-(piperidin-4-ylmethyl)penta-2,4-dien-1-imine
CID 170059484
N-[2-(1,2-dihydropyridin-4-ylmethylideneamino)ethyl]-1-piperidin-4-ylmethanimine
CID 5232462
(1Z,4Z)-6-ethylimino-3-methylidene-2-piperidin-4-ylhexa-1,4-dien-1-amine
CID 144263932
(Z)-2-ethyl-N-methyl-5-piperidin-4-ylpent-2-en-4-yn-1-imine
CID 144922959

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-N-(piperidin-4-ylmethyl)hexa-2,4-dien-1-imine?
The IUPAC name of 2-ethenyl-N-(piperidin-4-ylmethyl)hexa-2,4-dien-1-imine (CID 123822692) is 2-ethenyl-N-(piperidin-4-ylmethyl)hexa-2,4-dien-1-imine.
What is the SMILES notation for 2-ethenyl-N-(piperidin-4-ylmethyl)hexa-2,4-dien-1-imine?
The canonical SMILES for 2-ethenyl-N-(piperidin-4-ylmethyl)hexa-2,4-dien-1-imine is C=CC(=CC=CC)/C=N/CC1CCNCC1.
What is the InChIKey of 2-ethenyl-N-(piperidin-4-ylmethyl)hexa-2,4-dien-1-imine?
The InChIKey is BQDUKYFKFTXLOE-UAIONEDDSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-5-6-13(4-2)11-16-12-14-7-9-15-10-8-14/h3-6,11,14-15H,2,7-10,12H2,1H3/b5-3?,13-6?,16-11+.
What are the key properties of 2-ethenyl-N-(piperidin-4-ylmethyl)hexa-2,4-dien-1-imine?
2-ethenyl-N-(piperidin-4-ylmethyl)hexa-2,4-dien-1-imine has a molecular weight of 218.34 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-N-(piperidin-4-ylmethyl)hexa-2,4-dien-1-imine is sourced from PubChem (CID 123822692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).