N-ethenyl-2-(1-methylpiperidin-4-yl)prop-2-en-1-imine

C11H18N2 — CID 123879121

IUPACN-ethenyl-2-(1-methylpiperidin-4-yl)prop-2-en-1-imine
SMILESC=C/N=C/C(=C)C1CCN(C)CC1
InChIInChI=1S/C11H18N2/c1-4-12-9-10(2)11-5-7-13(3)8-6-11/h4,9,11H,1-2,5-8H2,3H3/b12-9+
InChIKeyQQAQKMKJOIWRAI-FMIVXFBMSA-N
MW178.28 g/mol
LogP2.10
Rot. Bonds3

About N-ethenyl-2-(1-methylpiperidin-4-yl)prop-2-en-1-imine

N-ethenyl-2-(1-methylpiperidin-4-yl)prop-2-en-1-imine (PubChem CID 123879121) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N-ethenyl-2-(1-methylpiperidin-4-yl)prop-2-en-1-imine.

Molecular Properties

Compound NameN-ethenyl-2-(1-methylpiperidin-4-yl)prop-2-en-1-imine
PubChem CID123879121
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN-ethenyl-2-(1-methylpiperidin-4-yl)prop-2-en-1-imine
SMILESC=C/N=C/C(=C)C1CCN(C)CC1
InChIInChI=1S/C11H18N2/c1-4-12-9-10(2)11-5-7-13(3)8-6-11/h4,9,11H,1-2,5-8H2,3H3/b12-9+
InChIKeyQQAQKMKJOIWRAI-FMIVXFBMSA-N
XLogP2.10
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-3-(dimethylamino)-2-piperidin-4-ylprop-2-enylidene]-dimethylazanium
CID 154723610
4-(4-Methylpiperidin-1-yl)-3,4-dihydropyridine
CID 66805449
2-ethyl-3,4,4a,5-tetrahydro-1H-2,7-naphthyridine
CID 70251029
2-methyl-3,4,4a,5-tetrahydro-1H-2,7-naphthyridine
CID 90857545
N,N,3-triethyl-3,4-dihydropyridin-5-amine
CID 123613286
N-ethenyl-3-(1-methylidenepiperidin-1-ium-4-yl)but-3-en-2-imine
CID 123789135
(2Z,5E)-N,2-dimethyl-6-(1-methylpiperidin-4-yl)hexa-2,5-dien-1-imine
CID 142325543
ethane;N-[(1Z)-3-(1-ethylpiperidin-3-yl)buta-1,3-dienyl]methanimine
CID 144778371
N-[2-(3,4-dihydropyridin-4-yl)ethyl]-N-methylpropan-2-amine
CID 168940529
(Z)-2-(1,5-dimethylpiperidin-3-yl)-3-methyliminoprop-1-en-1-amine
CID 177322368
N-[(1Z)-buta-1,3-dienyl]-1-(1-methylpiperidin-4-yl)prop-2-en-1-imine
CID 142003258
N-[(1Z)-3-(1-ethylpiperidin-3-yl)buta-1,3-dienyl]methanimine
CID 144778372

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-2-(1-methylpiperidin-4-yl)prop-2-en-1-imine?
The IUPAC name of N-ethenyl-2-(1-methylpiperidin-4-yl)prop-2-en-1-imine (CID 123879121) is N-ethenyl-2-(1-methylpiperidin-4-yl)prop-2-en-1-imine.
What is the SMILES notation for N-ethenyl-2-(1-methylpiperidin-4-yl)prop-2-en-1-imine?
The canonical SMILES for N-ethenyl-2-(1-methylpiperidin-4-yl)prop-2-en-1-imine is C=C/N=C/C(=C)C1CCN(C)CC1.
What is the InChIKey of N-ethenyl-2-(1-methylpiperidin-4-yl)prop-2-en-1-imine?
The InChIKey is QQAQKMKJOIWRAI-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H18N2/c1-4-12-9-10(2)11-5-7-13(3)8-6-11/h4,9,11H,1-2,5-8H2,3H3/b12-9+.
What are the key properties of N-ethenyl-2-(1-methylpiperidin-4-yl)prop-2-en-1-imine?
N-ethenyl-2-(1-methylpiperidin-4-yl)prop-2-en-1-imine has a molecular weight of 178.28 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-2-(1-methylpiperidin-4-yl)prop-2-en-1-imine is sourced from PubChem (CID 123879121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).