4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]piperidin-4-amine

C12H20N2 — CID 143030521

IUPAC4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]piperidin-4-amine
SMILESC=C/C=C\C=C(/C)C1(N)CCNCC1
InChIInChI=1S/C12H20N2/c1-3-4-5-6-11(2)12(13)7-9-14-10-8-12/h3-6,14H,1,7-10,13H2,2H3/b5-4-,11-6+
InChIKeyXEDRIQYMAFNWLV-UMEJXRAUSA-N
MW192.31 g/mol
LogP1.76
Rot. Bonds3

About 4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]piperidin-4-amine

4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]piperidin-4-amine (PubChem CID 143030521) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]piperidin-4-amine
PubChem CID143030521
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]piperidin-4-amine
SMILESC=C/C=C\C=C(/C)C1(N)CCNCC1
InChIInChI=1S/C12H20N2/c1-3-4-5-6-11(2)12(13)7-9-14-10-8-12/h3-6,14H,1,7-10,13H2,2H3/b5-4-,11-6+
InChIKeyXEDRIQYMAFNWLV-UMEJXRAUSA-N
XLogP1.76
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]piperidine
CID 10656685
4-Piperidinamine, 4-(2-propen-1-yl)-
CID 12000258
5-(Fluoromethyl)-6-piperidin-4-yl-1,2-dihydropyridine
CID 69107959
N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperidin-4-amine
CID 70325320
4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]piperidin-4-amine
CID 88582935
4-[1-(2-Fluoroethyl)piperidin-4-yl]hexa-2,4-dien-1-amine
CID 91377758
4-(5-Fluorohepta-3,5-dien-2-yl)-3-methylpiperidin-4-amine
CID 123833845
4-[(1E,3Z,5Z)-1-fluorohepta-1,3,5-trien-4-yl]piperidine
CID 134365700
1-methyl-N-(piperidin-4-ylmethyl)-5-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 141206326
N-[(Z,2E)-5-fluoro-2-propylidenehex-3-enyl]-1-methylpiperidin-4-amine
CID 143209317
4-(4-Fluoropiperidin-4-yl)-1,3-dimethylcyclohepta-2,4,6-trien-1-amine
CID 143235238
4-[(E)-2-fluoroethenyl]-3-[(Z)-prop-1-enyl]-2,8-diazaspiro[4.5]dec-3-ene
CID 143498263

Frequently Asked Questions

What is the IUPAC name of 4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]piperidin-4-amine?
The IUPAC name of 4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]piperidin-4-amine (CID 143030521) is 4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]piperidin-4-amine.
What is the SMILES notation for 4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]piperidin-4-amine?
The canonical SMILES for 4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]piperidin-4-amine is C=C/C=C\C=C(/C)C1(N)CCNCC1.
What is the InChIKey of 4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]piperidin-4-amine?
The InChIKey is XEDRIQYMAFNWLV-UMEJXRAUSA-N. The full InChI is InChI=1S/C12H20N2/c1-3-4-5-6-11(2)12(13)7-9-14-10-8-12/h3-6,14H,1,7-10,13H2,2H3/b5-4-,11-6+.
What are the key properties of 4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]piperidin-4-amine?
4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]piperidin-4-amine has a molecular weight of 192.31 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]piperidin-4-amine is sourced from PubChem (CID 143030521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).