(Z)-2-ethyl-N-methyl-5-piperidin-4-ylpent-2-en-4-yn-1-imine

C13H20N2 — CID 144922959

IUPAC(Z)-2-ethyl-N-methyl-5-piperidin-4-ylpent-2-en-4-yn-1-imine
SMILESCCC(=C/C#CC1CCNCC1)/C=N/C
InChIInChI=1S/C13H20N2/c1-3-12(11-14-2)5-4-6-13-7-9-15-10-8-13/h5,11,13,15H,3,7-10H2,1-2H3/b12-5-,14-11+
InChIKeySUCQINQNSQWIHA-RCJGIAGJSA-N
MW204.32 g/mol
LogP2.03
Rot. Bonds2

About (Z)-2-ethyl-N-methyl-5-piperidin-4-ylpent-2-en-4-yn-1-imine

(Z)-2-ethyl-N-methyl-5-piperidin-4-ylpent-2-en-4-yn-1-imine (PubChem CID 144922959) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (Z)-2-ethyl-N-methyl-5-piperidin-4-ylpent-2-en-4-yn-1-imine.

Molecular Properties

Compound Name(Z)-2-ethyl-N-methyl-5-piperidin-4-ylpent-2-en-4-yn-1-imine
PubChem CID144922959
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(Z)-2-ethyl-N-methyl-5-piperidin-4-ylpent-2-en-4-yn-1-imine
SMILESCCC(=C/C#CC1CCNCC1)/C=N/C
InChIInChI=1S/C13H20N2/c1-3-12(11-14-2)5-4-6-13-7-9-15-10-8-13/h5,11,13,15H,3,7-10H2,1-2H3/b12-5-,14-11+
InChIKeySUCQINQNSQWIHA-RCJGIAGJSA-N
XLogP2.03
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine
CID 91459524
2-ethenyl-N-(piperidin-4-ylmethyl)hexa-2,4-dien-1-imine
CID 123822692
2-Methyl-5-piperidin-4-yl-2,3-dihydropyridine
CID 123831605
3,5-dimethyl-3-piperidin-4-yl-2H-pyridine
CID 134433266
(2Z,3E,5E)-5-ethenyl-3,6-dimethyl-2-(2-methylprop-2-enylidene)octa-3,5,7-trien-1-imine;4-methylpiperidine
CID 145300567
(2S)-2-methyl-5-piperidin-4-yl-2-propan-2-yl-3H-pyridine
CID 167227965
(2Z)-2-ethyl-N-methyl-4-(piperidin-4-ylmethyl)penta-2,4-dien-1-imine
CID 170059484
(Z)-N,2-diethyl-3-(methyliminomethyl)hex-3-en-1-amine
CID 177026198

Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethyl-N-methyl-5-piperidin-4-ylpent-2-en-4-yn-1-imine?
The IUPAC name of (Z)-2-ethyl-N-methyl-5-piperidin-4-ylpent-2-en-4-yn-1-imine (CID 144922959) is (Z)-2-ethyl-N-methyl-5-piperidin-4-ylpent-2-en-4-yn-1-imine.
What is the SMILES notation for (Z)-2-ethyl-N-methyl-5-piperidin-4-ylpent-2-en-4-yn-1-imine?
The canonical SMILES for (Z)-2-ethyl-N-methyl-5-piperidin-4-ylpent-2-en-4-yn-1-imine is CCC(=C/C#CC1CCNCC1)/C=N/C.
What is the InChIKey of (Z)-2-ethyl-N-methyl-5-piperidin-4-ylpent-2-en-4-yn-1-imine?
The InChIKey is SUCQINQNSQWIHA-RCJGIAGJSA-N. The full InChI is InChI=1S/C13H20N2/c1-3-12(11-14-2)5-4-6-13-7-9-15-10-8-13/h5,11,13,15H,3,7-10H2,1-2H3/b12-5-,14-11+.
What are the key properties of (Z)-2-ethyl-N-methyl-5-piperidin-4-ylpent-2-en-4-yn-1-imine?
(Z)-2-ethyl-N-methyl-5-piperidin-4-ylpent-2-en-4-yn-1-imine has a molecular weight of 204.32 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethyl-N-methyl-5-piperidin-4-ylpent-2-en-4-yn-1-imine is sourced from PubChem (CID 144922959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).