(Z)-N-butyl-2-piperidin-1-ylbut-2-en-1-imine

C13H24N2 — CID 23240096

IUPAC(Z)-N-butyl-2-piperidin-1-ylbut-2-en-1-imine
SMILESC/C=C(/C=N/CCCC)N1CCCCC1
InChIInChI=1S/C13H24N2/c1-3-5-9-14-12-13(4-2)15-10-7-6-8-11-15/h4,12H,3,5-11H2,1-2H3/b13-4-,14-12+
InChIKeyQQTIEJGIWROWRW-PUMKWECFSA-N
MW208.35 g/mol
LogP3.25
Rot. Bonds5

About (Z)-N-butyl-2-piperidin-1-ylbut-2-en-1-imine

(Z)-N-butyl-2-piperidin-1-ylbut-2-en-1-imine (PubChem CID 23240096) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is (Z)-N-butyl-2-piperidin-1-ylbut-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-butyl-2-piperidin-1-ylbut-2-en-1-imine
PubChem CID23240096
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name(Z)-N-butyl-2-piperidin-1-ylbut-2-en-1-imine
SMILESC/C=C(/C=N/CCCC)N1CCCCC1
InChIInChI=1S/C13H24N2/c1-3-5-9-14-12-13(4-2)15-10-7-6-8-11-15/h4,12H,3,5-11H2,1-2H3/b13-4-,14-12+
InChIKeyQQTIEJGIWROWRW-PUMKWECFSA-N
XLogP3.25
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(Z)-2-fluoro-N-(3-methylbut-1-en-2-yl)-3-piperidin-1-ylbut-2-en-1-imine
CID 143430959
[(Z)-2,3-di(piperidin-1-yl)prop-2-enylidene]-dimethylazanium chloride
CID 134875136
6-(4-fluoropiperidin-1-yl)-2-methyl-4H-azepine
CID 145198060
(E)-2-piperidin-1-ylbut-2-en-1-imine
CID 123625477
N-methyl-2-piperidin-1-ylprop-2-en-1-imine
CID 129301015
(E)-N-methyl-3-piperidin-1-ylpent-2-en-1-imine
CID 142061223
(E)-N-methyl-3-(4-methylpiperazin-1-yl)but-2-en-1-imine
CID 143210270
5-Piperidin-1-yl-2,3-dihydropyridine;prop-1-ene
CID 143703557
ethane;6-(4-fluoropiperidin-1-yl)-2-methyl-4H-azepine
CID 145198059
ethane;N-ethenylprop-2-en-1-imine;1-methylpiperidine
CID 169104168
4-(1-Methylpiperidin-4-yl)iminobut-2-en-2-amine
CID 173766079
6-methyl-1-pentyl-2H-pyrimidine
CID 175688589

Frequently Asked Questions

What is the IUPAC name of (Z)-N-butyl-2-piperidin-1-ylbut-2-en-1-imine?
The IUPAC name of (Z)-N-butyl-2-piperidin-1-ylbut-2-en-1-imine (CID 23240096) is (Z)-N-butyl-2-piperidin-1-ylbut-2-en-1-imine.
What is the SMILES notation for (Z)-N-butyl-2-piperidin-1-ylbut-2-en-1-imine?
The canonical SMILES for (Z)-N-butyl-2-piperidin-1-ylbut-2-en-1-imine is C/C=C(/C=N/CCCC)N1CCCCC1.
What is the InChIKey of (Z)-N-butyl-2-piperidin-1-ylbut-2-en-1-imine?
The InChIKey is QQTIEJGIWROWRW-PUMKWECFSA-N. The full InChI is InChI=1S/C13H24N2/c1-3-5-9-14-12-13(4-2)15-10-7-6-8-11-15/h4,12H,3,5-11H2,1-2H3/b13-4-,14-12+.
What are the key properties of (Z)-N-butyl-2-piperidin-1-ylbut-2-en-1-imine?
(Z)-N-butyl-2-piperidin-1-ylbut-2-en-1-imine has a molecular weight of 208.35 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-butyl-2-piperidin-1-ylbut-2-en-1-imine is sourced from PubChem (CID 23240096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).