(2Z,4E)-5-(1-methylpiperidin-3-yl)penta-2,4-dienoic acid

C11H17NO2 — CID 115020259

IUPAC(2Z,4E)-5-(1-methylpiperidin-3-yl)penta-2,4-dienoic acid
SMILESCN1CCCC(/C=C/C=C\C(=O)O)C1
InChIInChI=1S/C11H17NO2/c1-12-8-4-6-10(9-12)5-2-3-7-11(13)14/h2-3,5,7,10H,4,6,8-9H2,1H3,(H,13,14)/b5-2+,7-3-
InChIKeyILCTUMJKSDIGLH-BUSGPAIPSA-N
MW195.26 g/mol
LogP1.53
Rot. Bonds3

About (2Z,4E)-5-(1-methylpiperidin-3-yl)penta-2,4-dienoic acid

(2Z,4E)-5-(1-methylpiperidin-3-yl)penta-2,4-dienoic acid (PubChem CID 115020259) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (2Z,4E)-5-(1-methylpiperidin-3-yl)penta-2,4-dienoic acid.

Molecular Properties

Compound Name(2Z,4E)-5-(1-methylpiperidin-3-yl)penta-2,4-dienoic acid
PubChem CID115020259
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(2Z,4E)-5-(1-methylpiperidin-3-yl)penta-2,4-dienoic acid
SMILESCN1CCCC(/C=C/C=C\C(=O)O)C1
InChIInChI=1S/C11H17NO2/c1-12-8-4-6-10(9-12)5-2-3-7-11(13)14/h2-3,5,7,10H,4,6,8-9H2,1H3,(H,13,14)/b5-2+,7-3-
InChIKeyILCTUMJKSDIGLH-BUSGPAIPSA-N
XLogP1.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(1-methylpyrrolidin-3-yl)prop-2-enoic acid
CID 117266106
(2Z,4E)-5-cyclobutylpenta-2,4-dienoic acid
CID 115011858
methyl (Z)-3-(1-methylpiperidin-3-yl)prop-2-enoate
CID 117266160
(Z)-4-(1-methylpiperidin-3-yl)but-3-enoic acid
CID 117267539
(E)-4-[2-(1-methylpiperidin-3-yl)ethylamino]-4-oxobut-2-enoic acid
CID 115177299
(3S)-1-methylpiperidine-3-carboxylic acid;hydrochloride
CID 67923100
2-[(3R)-1-methylpiperidin-3-yl]acetic acid
CID 67245614
1-methylpiperidine-3-carboxylic acid;hydrochloride
CID 12514711
(Z)-3-cyclobutylprop-2-enoic acid
CID 97289893
(4-cyclopropylidenepiperidin-1-yl)-(1-methylpiperidin-3-yl)methanone
CID 121184137
(Z)-N-methyl-4-(1-methylpiperidin-3-yl)but-3-en-1-amine
CID 117267511
N-methyl-N-(1-methylpiperidin-3-yl)but-2-enamide
CID 79005735

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-5-(1-methylpiperidin-3-yl)penta-2,4-dienoic acid?
The IUPAC name of (2Z,4E)-5-(1-methylpiperidin-3-yl)penta-2,4-dienoic acid (CID 115020259) is (2Z,4E)-5-(1-methylpiperidin-3-yl)penta-2,4-dienoic acid.
What is the SMILES notation for (2Z,4E)-5-(1-methylpiperidin-3-yl)penta-2,4-dienoic acid?
The canonical SMILES for (2Z,4E)-5-(1-methylpiperidin-3-yl)penta-2,4-dienoic acid is CN1CCCC(/C=C/C=C\C(=O)O)C1.
What is the InChIKey of (2Z,4E)-5-(1-methylpiperidin-3-yl)penta-2,4-dienoic acid?
The InChIKey is ILCTUMJKSDIGLH-BUSGPAIPSA-N. The full InChI is InChI=1S/C11H17NO2/c1-12-8-4-6-10(9-12)5-2-3-7-11(13)14/h2-3,5,7,10H,4,6,8-9H2,1H3,(H,13,14)/b5-2+,7-3-.
What are the key properties of (2Z,4E)-5-(1-methylpiperidin-3-yl)penta-2,4-dienoic acid?
(2Z,4E)-5-(1-methylpiperidin-3-yl)penta-2,4-dienoic acid has a molecular weight of 195.26 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-5-(1-methylpiperidin-3-yl)penta-2,4-dienoic acid is sourced from PubChem (CID 115020259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).