2-(2-methylprop-2-enoxy)-N-(piperidin-4-ylmethyl)ethanamine

C12H24N2O — CID 114465677

IUPAC2-(2-methylprop-2-enoxy)-N-(piperidin-4-ylmethyl)ethanamine
SMILESC=C(C)COCCNCC1CCNCC1
InChIInChI=1S/C12H24N2O/c1-11(2)10-15-8-7-14-9-12-3-5-13-6-4-12/h12-14H,1,3-10H2,2H3
InChIKeyGXOYZIDZCZUYPI-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.17
Rot. Bonds7

About 2-(2-methylprop-2-enoxy)-N-(piperidin-4-ylmethyl)ethanamine

2-(2-methylprop-2-enoxy)-N-(piperidin-4-ylmethyl)ethanamine (PubChem CID 114465677) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoxy)-N-(piperidin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2-methylprop-2-enoxy)-N-(piperidin-4-ylmethyl)ethanamine
PubChem CID114465677
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-(2-methylprop-2-enoxy)-N-(piperidin-4-ylmethyl)ethanamine
SMILESC=C(C)COCCNCC1CCNCC1
InChIInChI=1S/C12H24N2O/c1-11(2)10-15-8-7-14-9-12-3-5-13-6-4-12/h12-14H,1,3-10H2,2H3
InChIKeyGXOYZIDZCZUYPI-UHFFFAOYSA-N
XLogP1.17
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoxy)-N-(piperidin-4-ylmethyl)ethanamine?
The IUPAC name of 2-(2-methylprop-2-enoxy)-N-(piperidin-4-ylmethyl)ethanamine (CID 114465677) is 2-(2-methylprop-2-enoxy)-N-(piperidin-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2-methylprop-2-enoxy)-N-(piperidin-4-ylmethyl)ethanamine?
The canonical SMILES for 2-(2-methylprop-2-enoxy)-N-(piperidin-4-ylmethyl)ethanamine is C=C(C)COCCNCC1CCNCC1.
What is the InChIKey of 2-(2-methylprop-2-enoxy)-N-(piperidin-4-ylmethyl)ethanamine?
The InChIKey is GXOYZIDZCZUYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-11(2)10-15-8-7-14-9-12-3-5-13-6-4-12/h12-14H,1,3-10H2,2H3.
What are the key properties of 2-(2-methylprop-2-enoxy)-N-(piperidin-4-ylmethyl)ethanamine?
2-(2-methylprop-2-enoxy)-N-(piperidin-4-ylmethyl)ethanamine has a molecular weight of 212.34 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoxy)-N-(piperidin-4-ylmethyl)ethanamine is sourced from PubChem (CID 114465677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).