4-(4-methoxypiperidin-1-yl)but-2-en-1-amine

C10H20N2O — CID 77110204

IUPAC4-(4-methoxypiperidin-1-yl)but-2-en-1-amine
SMILESCOC1CCN(CC=CCN)CC1
InChIInChI=1S/C10H20N2O/c1-13-10-4-8-12(9-5-10)7-3-2-6-11/h2-3,10H,4-9,11H2,1H3
InChIKeyZYZSSFHZFLNBFG-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.61
Rot. Bonds4

About 4-(4-methoxypiperidin-1-yl)but-2-en-1-amine

4-(4-methoxypiperidin-1-yl)but-2-en-1-amine (PubChem CID 77110204) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-(4-methoxypiperidin-1-yl)but-2-en-1-amine.

Molecular Properties

Compound Name4-(4-methoxypiperidin-1-yl)but-2-en-1-amine
PubChem CID77110204
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name4-(4-methoxypiperidin-1-yl)but-2-en-1-amine
SMILESCOC1CCN(CC=CCN)CC1
InChIInChI=1S/C10H20N2O/c1-13-10-4-8-12(9-5-10)7-3-2-6-11/h2-3,10H,4-9,11H2,1H3
InChIKeyZYZSSFHZFLNBFG-UHFFFAOYSA-N
XLogP0.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxypiperidin-1-yl)but-2-en-1-amine?
The IUPAC name of 4-(4-methoxypiperidin-1-yl)but-2-en-1-amine (CID 77110204) is 4-(4-methoxypiperidin-1-yl)but-2-en-1-amine.
What is the SMILES notation for 4-(4-methoxypiperidin-1-yl)but-2-en-1-amine?
The canonical SMILES for 4-(4-methoxypiperidin-1-yl)but-2-en-1-amine is COC1CCN(CC=CCN)CC1.
What is the InChIKey of 4-(4-methoxypiperidin-1-yl)but-2-en-1-amine?
The InChIKey is ZYZSSFHZFLNBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-13-10-4-8-12(9-5-10)7-3-2-6-11/h2-3,10H,4-9,11H2,1H3.
What are the key properties of 4-(4-methoxypiperidin-1-yl)but-2-en-1-amine?
4-(4-methoxypiperidin-1-yl)but-2-en-1-amine has a molecular weight of 184.28 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxypiperidin-1-yl)but-2-en-1-amine is sourced from PubChem (CID 77110204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).