4-[(2Z,4Z)-2,5-diaminopenta-2,4-dienyl]-4-fluoropiperidine-1-carbaldehyde

C11H18FN3O — CID 167093310

IUPAC4-[(2Z,4Z)-2,5-diaminopenta-2,4-dienyl]-4-fluoropiperidine-1-carbaldehyde
SMILESN/C=C\C=C(/N)CC1(F)CCN(C=O)CC1
InChIInChI=1S/C11H18FN3O/c12-11(8-10(14)2-1-5-13)3-6-15(9-16)7-4-11/h1-2,5,9H,3-4,6-8,13-14H2/b5-1-,10-2-
InChIKeyYAQGYZOWKOFZDF-KHAVMBNRSA-N
MW227.28 g/mol
LogP0.65
Rot. Bonds4

About 4-[(2Z,4Z)-2,5-diaminopenta-2,4-dienyl]-4-fluoropiperidine-1-carbaldehyde

4-[(2Z,4Z)-2,5-diaminopenta-2,4-dienyl]-4-fluoropiperidine-1-carbaldehyde (PubChem CID 167093310) has the molecular formula C11H18FN3O and a molecular weight of 227.28 g/mol. Its IUPAC name is 4-[(2Z,4Z)-2,5-diaminopenta-2,4-dienyl]-4-fluoropiperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-[(2Z,4Z)-2,5-diaminopenta-2,4-dienyl]-4-fluoropiperidine-1-carbaldehyde
PubChem CID167093310
Molecular FormulaC11H18FN3O
Molecular Weight227.28 g/mol
Exact Mass227.14
IUPAC Name4-[(2Z,4Z)-2,5-diaminopenta-2,4-dienyl]-4-fluoropiperidine-1-carbaldehyde
SMILESN/C=C\C=C(/N)CC1(F)CCN(C=O)CC1
InChIInChI=1S/C11H18FN3O/c12-11(8-10(14)2-1-5-13)3-6-15(9-16)7-4-11/h1-2,5,9H,3-4,6-8,13-14H2/b5-1-,10-2-
InChIKeyYAQGYZOWKOFZDF-KHAVMBNRSA-N
XLogP0.65
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 143380034
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4-ethyl-4-methylpiperidine-1-carbaldehyde
CID 64992637
1-formyl-4-methylpiperidine-4-carboxylic acid
CID 63123507
4-fluoro-4-[4-(trifluoromethyl)benzoyl]piperidine-1-carbaldehyde
CID 166170822
4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbaldehyde
CID 141433309
4-fluoro-4-[[2-(4-fluorophenoxy)ethylamino]methyl]piperidine-1-carbaldehyde
CID 175189323
(3Z)-buta-1,3-diene-1,1,4-triamine;ethane
CID 144743431
4-fluoro-4-(4-fluorophenyl)piperidine-1-carbaldehyde
CID 145287368
ethane;piperidine-1-carbaldehyde;propane
CID 170585838
ethyl 3-(3-fluoro-1-formylpiperidin-3-yl)propanoate
CID 131996982
4-fluoro-4-[(3-pyridin-2-ylpropylamino)methyl]piperidine-1-carbaldehyde
CID 175190454

Frequently Asked Questions

What is the IUPAC name of 4-[(2Z,4Z)-2,5-diaminopenta-2,4-dienyl]-4-fluoropiperidine-1-carbaldehyde?
The IUPAC name of 4-[(2Z,4Z)-2,5-diaminopenta-2,4-dienyl]-4-fluoropiperidine-1-carbaldehyde (CID 167093310) is 4-[(2Z,4Z)-2,5-diaminopenta-2,4-dienyl]-4-fluoropiperidine-1-carbaldehyde.
What is the SMILES notation for 4-[(2Z,4Z)-2,5-diaminopenta-2,4-dienyl]-4-fluoropiperidine-1-carbaldehyde?
The canonical SMILES for 4-[(2Z,4Z)-2,5-diaminopenta-2,4-dienyl]-4-fluoropiperidine-1-carbaldehyde is N/C=C\C=C(/N)CC1(F)CCN(C=O)CC1.
What is the InChIKey of 4-[(2Z,4Z)-2,5-diaminopenta-2,4-dienyl]-4-fluoropiperidine-1-carbaldehyde?
The InChIKey is YAQGYZOWKOFZDF-KHAVMBNRSA-N. The full InChI is InChI=1S/C11H18FN3O/c12-11(8-10(14)2-1-5-13)3-6-15(9-16)7-4-11/h1-2,5,9H,3-4,6-8,13-14H2/b5-1-,10-2-.
What are the key properties of 4-[(2Z,4Z)-2,5-diaminopenta-2,4-dienyl]-4-fluoropiperidine-1-carbaldehyde?
4-[(2Z,4Z)-2,5-diaminopenta-2,4-dienyl]-4-fluoropiperidine-1-carbaldehyde has a molecular weight of 227.28 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z,4Z)-2,5-diaminopenta-2,4-dienyl]-4-fluoropiperidine-1-carbaldehyde is sourced from PubChem (CID 167093310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).