(1-but-3-enyl-4-methoxypiperidin-2-yl)methanamine

C11H22N2O — CID 112622728

IUPAC(1-but-3-enyl-4-methoxypiperidin-2-yl)methanamine
SMILESC=CCCN1CCC(OC)CC1CN
InChIInChI=1S/C11H22N2O/c1-3-4-6-13-7-5-11(14-2)8-10(13)9-12/h3,10-11H,1,4-9,12H2,2H3
InChIKeyUQCWIONNCSDFFP-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.00
Rot. Bonds5

About (1-but-3-enyl-4-methoxypiperidin-2-yl)methanamine

(1-but-3-enyl-4-methoxypiperidin-2-yl)methanamine (PubChem CID 112622728) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (1-but-3-enyl-4-methoxypiperidin-2-yl)methanamine.

Molecular Properties

Compound Name(1-but-3-enyl-4-methoxypiperidin-2-yl)methanamine
PubChem CID112622728
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(1-but-3-enyl-4-methoxypiperidin-2-yl)methanamine
SMILESC=CCCN1CCC(OC)CC1CN
InChIInChI=1S/C11H22N2O/c1-3-4-6-13-7-5-11(14-2)8-10(13)9-12/h3,10-11H,1,4-9,12H2,2H3
InChIKeyUQCWIONNCSDFFP-UHFFFAOYSA-N
XLogP1.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.00
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 (1-but-3-enyl-4-methoxypiperidin-2-yl)methanamine?
The IUPAC name of (1-but-3-enyl-4-methoxypiperidin-2-yl)methanamine (CID 112622728) is (1-but-3-enyl-4-methoxypiperidin-2-yl)methanamine.
What is the SMILES notation for (1-but-3-enyl-4-methoxypiperidin-2-yl)methanamine?
The canonical SMILES for (1-but-3-enyl-4-methoxypiperidin-2-yl)methanamine is C=CCCN1CCC(OC)CC1CN.
What is the InChIKey of (1-but-3-enyl-4-methoxypiperidin-2-yl)methanamine?
The InChIKey is UQCWIONNCSDFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-4-6-13-7-5-11(14-2)8-10(13)9-12/h3,10-11H,1,4-9,12H2,2H3.
What are the key properties of (1-but-3-enyl-4-methoxypiperidin-2-yl)methanamine?
(1-but-3-enyl-4-methoxypiperidin-2-yl)methanamine has a molecular weight of 198.31 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-but-3-enyl-4-methoxypiperidin-2-yl)methanamine is sourced from PubChem (CID 112622728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).