(5E)-N-[1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]ethenyl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridin-2-amine

C21H30FN3 — CID 166954630

IUPAC(5E)-N-[1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]ethenyl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridin-2-amine
SMILESC=C/C=C\C=C1\C=NC(NC(=C)C2(F)CCN(CC(C)C)CC2)=CC1
InChIInChI=1S/C21H30FN3/c1-5-6-7-8-19-9-10-20(23-15-19)24-18(4)21(22)11-13-25(14-12-21)16-17(2)3/h5-8,10,15,17,24H,1,4,9,11-14,16H2,2-3H3/b7-6-,19-8+
InChIKeyZJJRBINQPPCUMU-HOWRVZNXSA-N
MW343.49 g/mol
LogP4.53
Rot. Bonds7

About (5E)-N-[1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]ethenyl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridin-2-amine

(5E)-N-[1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]ethenyl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridin-2-amine (PubChem CID 166954630) has the molecular formula C21H30FN3 and a molecular weight of 343.49 g/mol. Its IUPAC name is (5E)-N-[1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]ethenyl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridin-2-amine.

Molecular Properties

Compound Name(5E)-N-[1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]ethenyl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridin-2-amine
PubChem CID166954630
Molecular FormulaC21H30FN3
Molecular Weight343.49 g/mol
Exact Mass343.24
IUPAC Name(5E)-N-[1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]ethenyl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridin-2-amine
SMILESC=C/C=C\C=C1\C=NC(NC(=C)C2(F)CCN(CC(C)C)CC2)=CC1
InChIInChI=1S/C21H30FN3/c1-5-6-7-8-19-9-10-20(23-15-19)24-18(4)21(22)11-13-25(14-12-21)16-17(2)3/h5-8,10,15,17,24H,1,4,9,11-14,16H2,2-3H3/b7-6-,19-8+
InChIKeyZJJRBINQPPCUMU-HOWRVZNXSA-N
XLogP4.53
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-7,7-dimethyl-2-[4-(2H-pyrrol-2-yl)piperidin-1-yl]-1H-quinoline
CID 89784609
N-(3-fluoro-3-propylhex-1-en-2-yl)-6-[(3Z)-4-methylhexa-1,3-dien-3-yl]-6,7-dihydroisoquinolin-3-amine
CID 155241561
N-[1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]ethenyl]-7-methyl-6,7-dihydroisoquinolin-3-amine
CID 166954504
(5E)-2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine
CID 166954513
(5E)-2-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine
CID 166954706
(5E)-5-[(2E)-3-ethenyl-4-[ethenyl(methyl)amino]penta-2,4-dienylidene]-N-[1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]propyl]-4H-pyridin-2-amine
CID 166954803
N-ethylidene-N'-[(2E,6Z,8Z)-9-fluoro-4-imino-5-methyl-8-(4-methylpiperidin-1-yl)nona-2,6,8-trienyl]methanimidamide
CID 169991986
N-[(3Z,7Z)-7-[(E)-1-fluoroprop-1-enyl]deca-1,3,7,9-tetraen-4-yl]-1-piperidin-4-ylmethanimine
CID 170199610
(Z)-N-[4-ethyl-1-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-2-methylidene-3H-pyrrol-5-yl]propan-1-imine
CID 141790661
(4Z,5E)-N-[1-(4,4-difluorocyclohexyl)ethenyl]-5-ethylidene-4-[(Z)-3-[methyl(prop-1-en-2-yl)amino]pent-3-enylidene]pyridin-2-amine
CID 142584788
ethane;(Z)-N-[4-ethyl-1-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-2-methylidene-3H-pyrrol-5-yl]propan-1-imine
CID 141790660
(4Z,5E)-4-[3-[amino(methyl)amino]-2-methylidenebut-3-enylidene]-5-ethylidene-N-methylpyridin-2-amine;4-ethenyl-1-(2-methylpropyl)piperidine;methanamine
CID 142584266

Frequently Asked Questions

What is the IUPAC name of (5E)-N-[1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]ethenyl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridin-2-amine?
The IUPAC name of (5E)-N-[1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]ethenyl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridin-2-amine (CID 166954630) is (5E)-N-[1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]ethenyl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridin-2-amine.
What is the SMILES notation for (5E)-N-[1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]ethenyl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridin-2-amine?
The canonical SMILES for (5E)-N-[1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]ethenyl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridin-2-amine is C=C/C=C\C=C1\C=NC(NC(=C)C2(F)CCN(CC(C)C)CC2)=CC1.
What is the InChIKey of (5E)-N-[1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]ethenyl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridin-2-amine?
The InChIKey is ZJJRBINQPPCUMU-HOWRVZNXSA-N. The full InChI is InChI=1S/C21H30FN3/c1-5-6-7-8-19-9-10-20(23-15-19)24-18(4)21(22)11-13-25(14-12-21)16-17(2)3/h5-8,10,15,17,24H,1,4,9,11-14,16H2,2-3H3/b7-6-,19-8+.
What are the key properties of (5E)-N-[1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]ethenyl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridin-2-amine?
(5E)-N-[1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]ethenyl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridin-2-amine has a molecular weight of 343.49 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-N-[1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]ethenyl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridin-2-amine is sourced from PubChem (CID 166954630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).