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

C12H20N2O — CID 142584744

IUPAC1-[1-(2-methoxybuta-2,3-dienyl)piperidin-4-yl]ethenamine
SMILESC=C=C(CN1CCC(C(=C)N)CC1)OC
InChIInChI=1S/C12H20N2O/c1-4-12(15-3)9-14-7-5-11(6-8-14)10(2)13/h11H,1-2,5-9,13H2,3H3
InChIKeyJTIDUXVQHZJLFF-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.49
Rot. Bonds4

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

1-[1-(2-methoxybuta-2,3-dienyl)piperidin-4-yl]ethenamine (PubChem CID 142584744) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-[1-(2-methoxybuta-2,3-dienyl)piperidin-4-yl]ethenamine.

Molecular Properties

Compound Name1-[1-(2-methoxybuta-2,3-dienyl)piperidin-4-yl]ethenamine
PubChem CID142584744
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-[1-(2-methoxybuta-2,3-dienyl)piperidin-4-yl]ethenamine
SMILESC=C=C(CN1CCC(C(=C)N)CC1)OC
InChIInChI=1S/C12H20N2O/c1-4-12(15-3)9-14-7-5-11(6-8-14)10(2)13/h11H,1-2,5-9,13H2,3H3
InChIKeyJTIDUXVQHZJLFF-UHFFFAOYSA-N
XLogP1.49
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.49
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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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxybuta-2,3-dienyl)piperidin-4-yl]ethenamine?
The IUPAC name of 1-[1-(2-methoxybuta-2,3-dienyl)piperidin-4-yl]ethenamine (CID 142584744) is 1-[1-(2-methoxybuta-2,3-dienyl)piperidin-4-yl]ethenamine.
What is the SMILES notation for 1-[1-(2-methoxybuta-2,3-dienyl)piperidin-4-yl]ethenamine?
The canonical SMILES for 1-[1-(2-methoxybuta-2,3-dienyl)piperidin-4-yl]ethenamine is C=C=C(CN1CCC(C(=C)N)CC1)OC.
What is the InChIKey of 1-[1-(2-methoxybuta-2,3-dienyl)piperidin-4-yl]ethenamine?
The InChIKey is JTIDUXVQHZJLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-12(15-3)9-14-7-5-11(6-8-14)10(2)13/h11H,1-2,5-9,13H2,3H3.
What are the key properties of 1-[1-(2-methoxybuta-2,3-dienyl)piperidin-4-yl]ethenamine?
1-[1-(2-methoxybuta-2,3-dienyl)piperidin-4-yl]ethenamine has a molecular weight of 208.30 g/mol, XLogP of 1.49, 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 is sourced from PubChem (CID 142584744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).