[4-methoxy-1-(2-methylprop-2-enyl)piperidin-2-yl]methanamine

C11H22N2O — CID 112622655

IUPAC[4-methoxy-1-(2-methylprop-2-enyl)piperidin-2-yl]methanamine
SMILESC=C(C)CN1CCC(OC)CC1CN
InChIInChI=1S/C11H22N2O/c1-9(2)8-13-5-4-11(14-3)6-10(13)7-12/h10-11H,1,4-8,12H2,2-3H3
InChIKeyCCDFRYWRXHWGDD-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.00
Rot. Bonds4

About [4-methoxy-1-(2-methylprop-2-enyl)piperidin-2-yl]methanamine

[4-methoxy-1-(2-methylprop-2-enyl)piperidin-2-yl]methanamine (PubChem CID 112622655) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is [4-methoxy-1-(2-methylprop-2-enyl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methoxy-1-(2-methylprop-2-enyl)piperidin-2-yl]methanamine
PubChem CID112622655
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name[4-methoxy-1-(2-methylprop-2-enyl)piperidin-2-yl]methanamine
SMILESC=C(C)CN1CCC(OC)CC1CN
InChIInChI=1S/C11H22N2O/c1-9(2)8-13-5-4-11(14-3)6-10(13)7-12/h10-11H,1,4-8,12H2,2-3H3
InChIKeyCCDFRYWRXHWGDD-UHFFFAOYSA-N
XLogP1.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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 [4-methoxy-1-(2-methylprop-2-enyl)piperidin-2-yl]methanamine?
The IUPAC name of [4-methoxy-1-(2-methylprop-2-enyl)piperidin-2-yl]methanamine (CID 112622655) is [4-methoxy-1-(2-methylprop-2-enyl)piperidin-2-yl]methanamine.
What is the SMILES notation for [4-methoxy-1-(2-methylprop-2-enyl)piperidin-2-yl]methanamine?
The canonical SMILES for [4-methoxy-1-(2-methylprop-2-enyl)piperidin-2-yl]methanamine is C=C(C)CN1CCC(OC)CC1CN.
What is the InChIKey of [4-methoxy-1-(2-methylprop-2-enyl)piperidin-2-yl]methanamine?
The InChIKey is CCDFRYWRXHWGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(2)8-13-5-4-11(14-3)6-10(13)7-12/h10-11H,1,4-8,12H2,2-3H3.
What are the key properties of [4-methoxy-1-(2-methylprop-2-enyl)piperidin-2-yl]methanamine?
[4-methoxy-1-(2-methylprop-2-enyl)piperidin-2-yl]methanamine has a molecular weight of 198.31 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-1-(2-methylprop-2-enyl)piperidin-2-yl]methanamine is sourced from PubChem (CID 112622655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).