N-[(1E,3Z)-1-piperidin-4-yloxy-2-prop-1-en-2-ylhepta-1,3-dienyl]ethanimine

C17H28N2O — CID 177143066

IUPACN-[(1E,3Z)-1-piperidin-4-yloxy-2-prop-1-en-2-ylhepta-1,3-dienyl]ethanimine
SMILESC=C(C)C(/C=C\CCC)=C(\N=CC)OC1CCNCC1
InChIInChI=1S/C17H28N2O/c1-5-7-8-9-16(14(3)4)17(19-6-2)20-15-10-12-18-13-11-15/h6,8-9,15,18H,3,5,7,10-13H2,1-2,4H3/b9-8-,17-16+,19-6?
InChIKeyAHVZSESFBWJDDN-OOCJQEHYSA-N
MW276.42 g/mol
LogP3.99
Rot. Bonds7

About N-[(1E,3Z)-1-piperidin-4-yloxy-2-prop-1-en-2-ylhepta-1,3-dienyl]ethanimine

N-[(1E,3Z)-1-piperidin-4-yloxy-2-prop-1-en-2-ylhepta-1,3-dienyl]ethanimine (PubChem CID 177143066) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[(1E,3Z)-1-piperidin-4-yloxy-2-prop-1-en-2-ylhepta-1,3-dienyl]ethanimine.

Molecular Properties

Compound NameN-[(1E,3Z)-1-piperidin-4-yloxy-2-prop-1-en-2-ylhepta-1,3-dienyl]ethanimine
PubChem CID177143066
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[(1E,3Z)-1-piperidin-4-yloxy-2-prop-1-en-2-ylhepta-1,3-dienyl]ethanimine
SMILESC=C(C)C(/C=C\CCC)=C(\N=CC)OC1CCNCC1
InChIInChI=1S/C17H28N2O/c1-5-7-8-9-16(14(3)4)17(19-6-2)20-15-10-12-18-13-11-15/h6,8-9,15,18H,3,5,7,10-13H2,1-2,4H3/b9-8-,17-16+,19-6?
InChIKeyAHVZSESFBWJDDN-OOCJQEHYSA-N
XLogP3.99
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[(2Z,4Z)-3-[(E)-pent-2-en-2-yl]octa-2,4-dien-2-yl]ethanimine
CID 145143647
N-[(3E)-3-cyclopropyloxyhexa-1,3-dien-2-yl]ethanimine
CID 166783337
(3E)-2-methylhepta-1,3-diene
CID 12928201
2-methylhepta-1,3-diene
CID 54310621
[(3Z,5Z)-3-methylnona-1,3,5-trien-2-yl]oxycyclopentane
CID 176941862
4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxypiperidine
CID 88582834
ethane;piperidin-4-yl acetate
CID 144574283
piperidin-4-yl pentanoate
CID 45091374
(1-ethylpiperidin-4-yl) N-ethylidenecarbamate;methane;morpholine
CID 142227573
cyclopentyl N-ethylidenecarbamate;methane;morpholine
CID 142239577
(E)-2-methylidenehept-3-en-1-ol
CID 173423370
ethane;4-prop-2-enoxypiperidine
CID 171805898

Frequently Asked Questions

What is the IUPAC name of N-[(1E,3Z)-1-piperidin-4-yloxy-2-prop-1-en-2-ylhepta-1,3-dienyl]ethanimine?
The IUPAC name of N-[(1E,3Z)-1-piperidin-4-yloxy-2-prop-1-en-2-ylhepta-1,3-dienyl]ethanimine (CID 177143066) is N-[(1E,3Z)-1-piperidin-4-yloxy-2-prop-1-en-2-ylhepta-1,3-dienyl]ethanimine.
What is the SMILES notation for N-[(1E,3Z)-1-piperidin-4-yloxy-2-prop-1-en-2-ylhepta-1,3-dienyl]ethanimine?
The canonical SMILES for N-[(1E,3Z)-1-piperidin-4-yloxy-2-prop-1-en-2-ylhepta-1,3-dienyl]ethanimine is C=C(C)C(/C=C\CCC)=C(\N=CC)OC1CCNCC1.
What is the InChIKey of N-[(1E,3Z)-1-piperidin-4-yloxy-2-prop-1-en-2-ylhepta-1,3-dienyl]ethanimine?
The InChIKey is AHVZSESFBWJDDN-OOCJQEHYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-7-8-9-16(14(3)4)17(19-6-2)20-15-10-12-18-13-11-15/h6,8-9,15,18H,3,5,7,10-13H2,1-2,4H3/b9-8-,17-16+,19-6?.
What are the key properties of N-[(1E,3Z)-1-piperidin-4-yloxy-2-prop-1-en-2-ylhepta-1,3-dienyl]ethanimine?
N-[(1E,3Z)-1-piperidin-4-yloxy-2-prop-1-en-2-ylhepta-1,3-dienyl]ethanimine has a molecular weight of 276.42 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3Z)-1-piperidin-4-yloxy-2-prop-1-en-2-ylhepta-1,3-dienyl]ethanimine is sourced from PubChem (CID 177143066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).