(Z)-N,N'-dimethyl-4-piperidin-4-ylbut-2-enimidamide

C11H21N3 — CID 144744633

IUPAC(Z)-N,N'-dimethyl-4-piperidin-4-ylbut-2-enimidamide
SMILESC/N=C(/C=C\CC1CCNCC1)NC
InChIInChI=1S/C11H21N3/c1-12-11(13-2)5-3-4-10-6-8-14-9-7-10/h3,5,10,14H,4,6-9H2,1-2H3,(H,12,13)/b5-3-
InChIKeyKZLJNRWFUUCJIJ-HYXAFXHYSA-N
MW195.31 g/mol
LogP1.18
Rot. Bonds3

About (Z)-N,N'-dimethyl-4-piperidin-4-ylbut-2-enimidamide

(Z)-N,N'-dimethyl-4-piperidin-4-ylbut-2-enimidamide (PubChem CID 144744633) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is (Z)-N,N'-dimethyl-4-piperidin-4-ylbut-2-enimidamide.

Molecular Properties

Compound Name(Z)-N,N'-dimethyl-4-piperidin-4-ylbut-2-enimidamide
PubChem CID144744633
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name(Z)-N,N'-dimethyl-4-piperidin-4-ylbut-2-enimidamide
SMILESC/N=C(/C=C\CC1CCNCC1)NC
InChIInChI=1S/C11H21N3/c1-12-11(13-2)5-3-4-10-6-8-14-9-7-10/h3,5,10,14H,4,6-9H2,1-2H3,(H,12,13)/b5-3-
InChIKeyKZLJNRWFUUCJIJ-HYXAFXHYSA-N
XLogP1.18
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-piperidin-4-ylbut-2-en-1-amine
CID 117265742
(Z)-N,N'-dimethylbut-2-enimidamide
CID 58400962
(E)-4-cyclohexyl-N-methylbut-2-enamide
CID 162387728
(2S)-2-(methylamino)-3-piperidin-4-ylpropanoic acid
CID 169025052
2-piperidin-4-ylacetaldehyde
CID 23401441
3-but-2-enylpyrrolidine
CID 54482809
N-methyl-2-(piperidin-4-ylmethylamino)acetamide
CID 79708074
N-(chloromethyl)-1-piperidin-4-ylmethanamine
CID 134365297
N-methyl-2-(piperidin-4-ylmethoxy)acetamide
CID 39062927
1-methyl-3-[[(3S)-pyrrolidin-3-yl]methyl]urea
CID 59006471
N-methyl-2-(piperidin-4-ylmethyl)prop-2-en-1-amine
CID 117266307
N,N'-diamino-2-piperidin-4-ylethanimidamide
CID 142954054

Frequently Asked Questions

What is the IUPAC name of (Z)-N,N'-dimethyl-4-piperidin-4-ylbut-2-enimidamide?
The IUPAC name of (Z)-N,N'-dimethyl-4-piperidin-4-ylbut-2-enimidamide (CID 144744633) is (Z)-N,N'-dimethyl-4-piperidin-4-ylbut-2-enimidamide.
What is the SMILES notation for (Z)-N,N'-dimethyl-4-piperidin-4-ylbut-2-enimidamide?
The canonical SMILES for (Z)-N,N'-dimethyl-4-piperidin-4-ylbut-2-enimidamide is C/N=C(/C=C\CC1CCNCC1)NC.
What is the InChIKey of (Z)-N,N'-dimethyl-4-piperidin-4-ylbut-2-enimidamide?
The InChIKey is KZLJNRWFUUCJIJ-HYXAFXHYSA-N. The full InChI is InChI=1S/C11H21N3/c1-12-11(13-2)5-3-4-10-6-8-14-9-7-10/h3,5,10,14H,4,6-9H2,1-2H3,(H,12,13)/b5-3-.
What are the key properties of (Z)-N,N'-dimethyl-4-piperidin-4-ylbut-2-enimidamide?
(Z)-N,N'-dimethyl-4-piperidin-4-ylbut-2-enimidamide has a molecular weight of 195.31 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N'-dimethyl-4-piperidin-4-ylbut-2-enimidamide is sourced from PubChem (CID 144744633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).