(5E)-2-[1-(2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine

C19H28N2 — CID 166955028

IUPAC(5E)-2-[1-(2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine
SMILESC=C/C=C\C=C1\C=NC(C2CCN(CC(C)C)CC2)=CC1
InChIInChI=1S/C19H28N2/c1-4-5-6-7-17-8-9-19(20-14-17)18-10-12-21(13-11-18)15-16(2)3/h4-7,9,14,16,18H,1,8,10-13,15H2,2-3H3/b6-5-,17-7+
InChIKeyLQHMGRBCWIYNOA-IANWOCAHSA-N
MW284.45 g/mol
LogP4.38
Rot. Bonds5

About (5E)-2-[1-(2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine

(5E)-2-[1-(2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine (PubChem CID 166955028) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is (5E)-2-[1-(2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine.

Molecular Properties

Compound Name(5E)-2-[1-(2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine
PubChem CID166955028
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name(5E)-2-[1-(2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine
SMILESC=C/C=C\C=C1\C=NC(C2CCN(CC(C)C)CC2)=CC1
InChIInChI=1S/C19H28N2/c1-4-5-6-7-17-8-9-19(20-14-17)18-10-12-21(13-11-18)15-16(2)3/h4-7,9,14,16,18H,1,8,10-13,15H2,2-3H3/b6-5-,17-7+
InChIKeyLQHMGRBCWIYNOA-IANWOCAHSA-N
XLogP4.38
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5E)-2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine
CID 166954513
(5E)-N-[1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]ethenyl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridin-2-amine
CID 166954630
(5E)-2-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine
CID 166954706
1-(3,4-Dihydropyridin-4-ylmethyl)-4-(2-methylcyclohexa-1,5-dien-1-yl)piperazine
CID 71047436
5-(4-ethylpiperidin-1-yl)-3H-azepine
CID 123269294
1-(3-methylbut-1-en-2-yl)-4-[(3E,5Z,7Z)-nona-3,5,7-trien-4-yl]piperidine
CID 129269097
1-prop-1-en-2-yl-4-(2H-pyrrol-3-yl)piperidine
CID 130217430
5-(1-Methylpiperidin-4-yl)-2-propan-2-yl-2,3-dihydropyridine
CID 134364993
4-(4-Methylcyclohexa-1,5-dien-1-yl)-1-prop-1-en-2-ylpiperidine
CID 141903196
(2Z,5E)-N,2-dimethyl-6-(1-methylpiperidin-4-yl)hexa-2,5-dien-1-imine
CID 142325543
methane;(2Z)-N-methyl-2-(1-methylpiperidin-4-yl)penta-2,4-dien-1-imine
CID 142886822
1-cyclohepta-1,3,6-trien-1-yl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]methanimine
CID 143029270

Frequently Asked Questions

What is the IUPAC name of (5E)-2-[1-(2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine?
The IUPAC name of (5E)-2-[1-(2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine (CID 166955028) is (5E)-2-[1-(2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine.
What is the SMILES notation for (5E)-2-[1-(2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine?
The canonical SMILES for (5E)-2-[1-(2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine is C=C/C=C\C=C1\C=NC(C2CCN(CC(C)C)CC2)=CC1.
What is the InChIKey of (5E)-2-[1-(2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine?
The InChIKey is LQHMGRBCWIYNOA-IANWOCAHSA-N. The full InChI is InChI=1S/C19H28N2/c1-4-5-6-7-17-8-9-19(20-14-17)18-10-12-21(13-11-18)15-16(2)3/h4-7,9,14,16,18H,1,8,10-13,15H2,2-3H3/b6-5-,17-7+.
What are the key properties of (5E)-2-[1-(2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine?
(5E)-2-[1-(2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine has a molecular weight of 284.45 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-[1-(2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine is sourced from PubChem (CID 166955028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).