[1-[(E)-3-chloroprop-2-enyl]-4-methoxypiperidin-2-yl]methanamine

C10H19ClN2O — CID 112622561

IUPAC[1-[(E)-3-chloroprop-2-enyl]-4-methoxypiperidin-2-yl]methanamine
SMILESCOC1CCN(C/C=C/Cl)C(CN)C1
InChIInChI=1S/C10H19ClN2O/c1-14-10-3-6-13(5-2-4-11)9(7-10)8-12/h2,4,9-10H,3,5-8,12H2,1H3/b4-2+
InChIKeyIWHAPADNUINNOR-DUXPYHPUSA-N
MW218.73 g/mol
LogP1.18
Rot. Bonds4

About [1-[(E)-3-chloroprop-2-enyl]-4-methoxypiperidin-2-yl]methanamine

[1-[(E)-3-chloroprop-2-enyl]-4-methoxypiperidin-2-yl]methanamine (PubChem CID 112622561) has the molecular formula C10H19ClN2O and a molecular weight of 218.73 g/mol. Its IUPAC name is [1-[(E)-3-chloroprop-2-enyl]-4-methoxypiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(E)-3-chloroprop-2-enyl]-4-methoxypiperidin-2-yl]methanamine
PubChem CID112622561
Molecular FormulaC10H19ClN2O
Molecular Weight218.73 g/mol
Exact Mass218.12
IUPAC Name[1-[(E)-3-chloroprop-2-enyl]-4-methoxypiperidin-2-yl]methanamine
SMILESCOC1CCN(C/C=C/Cl)C(CN)C1
InChIInChI=1S/C10H19ClN2O/c1-14-10-3-6-13(5-2-4-11)9(7-10)8-12/h2,4,9-10H,3,5-8,12H2,1H3/b4-2+
InChIKeyIWHAPADNUINNOR-DUXPYHPUSA-N
XLogP1.18
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.73
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(E)-3-chloroprop-2-enyl]-4-methoxypiperidin-2-yl]methanamine?
The IUPAC name of [1-[(E)-3-chloroprop-2-enyl]-4-methoxypiperidin-2-yl]methanamine (CID 112622561) is [1-[(E)-3-chloroprop-2-enyl]-4-methoxypiperidin-2-yl]methanamine.
What is the SMILES notation for [1-[(E)-3-chloroprop-2-enyl]-4-methoxypiperidin-2-yl]methanamine?
The canonical SMILES for [1-[(E)-3-chloroprop-2-enyl]-4-methoxypiperidin-2-yl]methanamine is COC1CCN(C/C=C/Cl)C(CN)C1.
What is the InChIKey of [1-[(E)-3-chloroprop-2-enyl]-4-methoxypiperidin-2-yl]methanamine?
The InChIKey is IWHAPADNUINNOR-DUXPYHPUSA-N. The full InChI is InChI=1S/C10H19ClN2O/c1-14-10-3-6-13(5-2-4-11)9(7-10)8-12/h2,4,9-10H,3,5-8,12H2,1H3/b4-2+.
What are the key properties of [1-[(E)-3-chloroprop-2-enyl]-4-methoxypiperidin-2-yl]methanamine?
[1-[(E)-3-chloroprop-2-enyl]-4-methoxypiperidin-2-yl]methanamine has a molecular weight of 218.73 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(E)-3-chloroprop-2-enyl]-4-methoxypiperidin-2-yl]methanamine is sourced from PubChem (CID 112622561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).