N-ethenyl-3-methyl-2-(1-prop-1-en-2-ylpiperidin-4-yl)but-2-en-1-imine

C15H24N2 — CID 171506437

IUPACN-ethenyl-3-methyl-2-(1-prop-1-en-2-ylpiperidin-4-yl)but-2-en-1-imine
SMILESC=C/N=C/C(=C(C)C)C1CCN(C(=C)C)CC1
InChIInChI=1S/C15H24N2/c1-6-16-11-15(12(2)3)14-7-9-17(10-8-14)13(4)5/h6,11,14H,1,4,7-10H2,2-3,5H3/b16-11+
InChIKeyQZHBERRHFSACGS-LFIBNONCSA-N
MW232.37 g/mol
LogP3.78
Rot. Bonds4

About N-ethenyl-3-methyl-2-(1-prop-1-en-2-ylpiperidin-4-yl)but-2-en-1-imine

N-ethenyl-3-methyl-2-(1-prop-1-en-2-ylpiperidin-4-yl)but-2-en-1-imine (PubChem CID 171506437) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-ethenyl-3-methyl-2-(1-prop-1-en-2-ylpiperidin-4-yl)but-2-en-1-imine.

Molecular Properties

Compound NameN-ethenyl-3-methyl-2-(1-prop-1-en-2-ylpiperidin-4-yl)but-2-en-1-imine
PubChem CID171506437
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-ethenyl-3-methyl-2-(1-prop-1-en-2-ylpiperidin-4-yl)but-2-en-1-imine
SMILESC=C/N=C/C(=C(C)C)C1CCN(C(=C)C)CC1
InChIInChI=1S/C15H24N2/c1-6-16-11-15(12(2)3)14-7-9-17(10-8-14)13(4)5/h6,11,14H,1,4,7-10H2,2-3,5H3/b16-11+
InChIKeyQZHBERRHFSACGS-LFIBNONCSA-N
XLogP3.78
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.78
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

(5E)-2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine
CID 166954513
(5E)-2-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine
CID 166954706
3,4-dimethyl-3-[(1-methylpiperidin-4-ylidene)methyl]-4H-pyridine
CID 70813854
5-(4-ethylpiperidin-1-yl)-3H-azepine
CID 123269294
N-ethenyl-3-(1-methylidenepiperidin-1-ium-4-yl)but-3-en-2-imine
CID 123789135
N-ethenyl-2-(1-methylpiperidin-4-yl)prop-2-en-1-imine
CID 123879121
1-prop-1-en-2-yl-4-(2H-pyrrol-3-yl)piperidine
CID 130217430
5-(1-Methylpiperidin-4-yl)-2-propan-2-yl-2,3-dihydropyridine
CID 134364993
N-methyl-1-(5-methyl-1-prop-1-en-2-yl-3,4-dihydro-2H-pyridin-6-yl)methanimine
CID 134424576
1-methyl-4-(3-propyl-3H-pyrrol-5-yl)piperidine
CID 142001405
(2Z,5E)-N,2-dimethyl-6-(1-methylpiperidin-4-yl)hexa-2,5-dien-1-imine
CID 142325543
methane;(2Z)-N-methyl-2-(1-methylpiperidin-4-yl)penta-2,4-dien-1-imine
CID 142886822

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-3-methyl-2-(1-prop-1-en-2-ylpiperidin-4-yl)but-2-en-1-imine?
The IUPAC name of N-ethenyl-3-methyl-2-(1-prop-1-en-2-ylpiperidin-4-yl)but-2-en-1-imine (CID 171506437) is N-ethenyl-3-methyl-2-(1-prop-1-en-2-ylpiperidin-4-yl)but-2-en-1-imine.
What is the SMILES notation for N-ethenyl-3-methyl-2-(1-prop-1-en-2-ylpiperidin-4-yl)but-2-en-1-imine?
The canonical SMILES for N-ethenyl-3-methyl-2-(1-prop-1-en-2-ylpiperidin-4-yl)but-2-en-1-imine is C=C/N=C/C(=C(C)C)C1CCN(C(=C)C)CC1.
What is the InChIKey of N-ethenyl-3-methyl-2-(1-prop-1-en-2-ylpiperidin-4-yl)but-2-en-1-imine?
The InChIKey is QZHBERRHFSACGS-LFIBNONCSA-N. The full InChI is InChI=1S/C15H24N2/c1-6-16-11-15(12(2)3)14-7-9-17(10-8-14)13(4)5/h6,11,14H,1,4,7-10H2,2-3,5H3/b16-11+.
What are the key properties of N-ethenyl-3-methyl-2-(1-prop-1-en-2-ylpiperidin-4-yl)but-2-en-1-imine?
N-ethenyl-3-methyl-2-(1-prop-1-en-2-ylpiperidin-4-yl)but-2-en-1-imine has a molecular weight of 232.37 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-3-methyl-2-(1-prop-1-en-2-ylpiperidin-4-yl)but-2-en-1-imine is sourced from PubChem (CID 171506437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).