[1-(3-chloro-2-methylprop-2-enyl)-4-methoxypiperidin-2-yl]methanamine

C11H21ClN2O — CID 106439525

IUPAC[1-(3-chloro-2-methylprop-2-enyl)-4-methoxypiperidin-2-yl]methanamine
SMILESCOC1CCN(CC(C)=CCl)C(CN)C1
InChIInChI=1S/C11H21ClN2O/c1-9(6-12)8-14-4-3-11(15-2)5-10(14)7-13/h6,10-11H,3-5,7-8,13H2,1-2H3
InChIKeyZYKVBYLKTNMHDY-UHFFFAOYSA-N
MW232.75 g/mol
LogP1.57
Rot. Bonds4

About [1-(3-chloro-2-methylprop-2-enyl)-4-methoxypiperidin-2-yl]methanamine

[1-(3-chloro-2-methylprop-2-enyl)-4-methoxypiperidin-2-yl]methanamine (PubChem CID 106439525) has the molecular formula C11H21ClN2O and a molecular weight of 232.75 g/mol. Its IUPAC name is [1-(3-chloro-2-methylprop-2-enyl)-4-methoxypiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(3-chloro-2-methylprop-2-enyl)-4-methoxypiperidin-2-yl]methanamine
PubChem CID106439525
Molecular FormulaC11H21ClN2O
Molecular Weight232.75 g/mol
Exact Mass232.13
IUPAC Name[1-(3-chloro-2-methylprop-2-enyl)-4-methoxypiperidin-2-yl]methanamine
SMILESCOC1CCN(CC(C)=CCl)C(CN)C1
InChIInChI=1S/C11H21ClN2O/c1-9(6-12)8-14-4-3-11(15-2)5-10(14)7-13/h6,10-11H,3-5,7-8,13H2,1-2H3
InChIKeyZYKVBYLKTNMHDY-UHFFFAOYSA-N
XLogP1.57
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.75
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-2-methylprop-2-enyl)-4-methoxypiperidin-2-yl]methanamine?
The IUPAC name of [1-(3-chloro-2-methylprop-2-enyl)-4-methoxypiperidin-2-yl]methanamine (CID 106439525) is [1-(3-chloro-2-methylprop-2-enyl)-4-methoxypiperidin-2-yl]methanamine.
What is the SMILES notation for [1-(3-chloro-2-methylprop-2-enyl)-4-methoxypiperidin-2-yl]methanamine?
The canonical SMILES for [1-(3-chloro-2-methylprop-2-enyl)-4-methoxypiperidin-2-yl]methanamine is COC1CCN(CC(C)=CCl)C(CN)C1.
What is the InChIKey of [1-(3-chloro-2-methylprop-2-enyl)-4-methoxypiperidin-2-yl]methanamine?
The InChIKey is ZYKVBYLKTNMHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClN2O/c1-9(6-12)8-14-4-3-11(15-2)5-10(14)7-13/h6,10-11H,3-5,7-8,13H2,1-2H3.
What are the key properties of [1-(3-chloro-2-methylprop-2-enyl)-4-methoxypiperidin-2-yl]methanamine?
[1-(3-chloro-2-methylprop-2-enyl)-4-methoxypiperidin-2-yl]methanamine has a molecular weight of 232.75 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-2-methylprop-2-enyl)-4-methoxypiperidin-2-yl]methanamine is sourced from PubChem (CID 106439525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).