1-[1-(2-methoxybuta-2,3-dienyl)piperidin-4-yl]ethenamine;molecular hydrogen

C12H22N2O — CID 142584743

IUPAC1-[1-(2-methoxybuta-2,3-dienyl)piperidin-4-yl]ethenamine;molecular hydrogen
SMILESC=C=C(CN1CCC(C(=C)N)CC1)OC.[H][H]
InChIInChI=1S/C12H20N2O.H2/c1-4-12(15-3)9-14-7-5-11(6-8-14)10(2)13;/h11H,1-2,5-9,13H2,3H3;1H
InChIKeyUFTZVJMIZHQXQJ-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.73
Rot. Bonds4

About 1-[1-(2-methoxybuta-2,3-dienyl)piperidin-4-yl]ethenamine;molecular hydrogen

1-[1-(2-methoxybuta-2,3-dienyl)piperidin-4-yl]ethenamine;molecular hydrogen (PubChem CID 142584743) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-[1-(2-methoxybuta-2,3-dienyl)piperidin-4-yl]ethenamine;molecular hydrogen.

Molecular Properties

Compound Name1-[1-(2-methoxybuta-2,3-dienyl)piperidin-4-yl]ethenamine;molecular hydrogen
PubChem CID142584743
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-[1-(2-methoxybuta-2,3-dienyl)piperidin-4-yl]ethenamine;molecular hydrogen
SMILESC=C=C(CN1CCC(C(=C)N)CC1)OC.[H][H]
InChIInChI=1S/C12H20N2O.H2/c1-4-12(15-3)9-14-7-5-11(6-8-14)10(2)13;/h11H,1-2,5-9,13H2,3H3;1H
InChIKeyUFTZVJMIZHQXQJ-UHFFFAOYSA-N
XLogP1.73
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Methyl-6-(2,3,6-trimethylmorpholin-4-yl)hept-6-en-3-amine
CID 89073744
3-[1-(2-methoxyethyl)piperidin-4-yl]-N-methylprop-1-en-2-amine
CID 135165135
CID 173989438
CID 173989438
1-[1-(2-Methoxybuta-2,3-dienyl)piperidin-4-yl]ethenamine
CID 142584744
1-[1-(2-Methoxyethyl)-4-methylpiperidin-4-yl]ethenamine
CID 142952247

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxybuta-2,3-dienyl)piperidin-4-yl]ethenamine;molecular hydrogen?
The IUPAC name of 1-[1-(2-methoxybuta-2,3-dienyl)piperidin-4-yl]ethenamine;molecular hydrogen (CID 142584743) is 1-[1-(2-methoxybuta-2,3-dienyl)piperidin-4-yl]ethenamine;molecular hydrogen.
What is the SMILES notation for 1-[1-(2-methoxybuta-2,3-dienyl)piperidin-4-yl]ethenamine;molecular hydrogen?
The canonical SMILES for 1-[1-(2-methoxybuta-2,3-dienyl)piperidin-4-yl]ethenamine;molecular hydrogen is C=C=C(CN1CCC(C(=C)N)CC1)OC.[H][H].
What is the InChIKey of 1-[1-(2-methoxybuta-2,3-dienyl)piperidin-4-yl]ethenamine;molecular hydrogen?
The InChIKey is UFTZVJMIZHQXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O.H2/c1-4-12(15-3)9-14-7-5-11(6-8-14)10(2)13;/h11H,1-2,5-9,13H2,3H3;1H.
What are the key properties of 1-[1-(2-methoxybuta-2,3-dienyl)piperidin-4-yl]ethenamine;molecular hydrogen?
1-[1-(2-methoxybuta-2,3-dienyl)piperidin-4-yl]ethenamine;molecular hydrogen has a molecular weight of 210.32 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxybuta-2,3-dienyl)piperidin-4-yl]ethenamine;molecular hydrogen is sourced from PubChem (CID 142584743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).