2,2,6,6-tetramethyl-1-(oxiran-2-ylmethyl)piperidin-3-amine

C12H24N2O — CID 141318729

IUPAC2,2,6,6-tetramethyl-1-(oxiran-2-ylmethyl)piperidin-3-amine
SMILESCC1(C)CCC(N)C(C)(C)N1CC1CO1
InChIInChI=1S/C12H24N2O/c1-11(2)6-5-10(13)12(3,4)14(11)7-9-8-15-9/h9-10H,5-8,13H2,1-4H3
InChIKeyPIVLZVPLSQTMHL-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.37
Rot. Bonds2

About 2,2,6,6-tetramethyl-1-(oxiran-2-ylmethyl)piperidin-3-amine

2,2,6,6-tetramethyl-1-(oxiran-2-ylmethyl)piperidin-3-amine (PubChem CID 141318729) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-1-(oxiran-2-ylmethyl)piperidin-3-amine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1-(oxiran-2-ylmethyl)piperidin-3-amine
PubChem CID141318729
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2,2,6,6-tetramethyl-1-(oxiran-2-ylmethyl)piperidin-3-amine
SMILESCC1(C)CCC(N)C(C)(C)N1CC1CO1
InChIInChI=1S/C12H24N2O/c1-11(2)6-5-10(13)12(3,4)14(11)7-9-8-15-9/h9-10H,5-8,13H2,1-4H3
InChIKeyPIVLZVPLSQTMHL-UHFFFAOYSA-N
XLogP1.37
TPSA41.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-1-(oxiran-2-ylmethyl)piperidin-3-amine?
The IUPAC name of 2,2,6,6-tetramethyl-1-(oxiran-2-ylmethyl)piperidin-3-amine (CID 141318729) is 2,2,6,6-tetramethyl-1-(oxiran-2-ylmethyl)piperidin-3-amine.
What is the SMILES notation for 2,2,6,6-tetramethyl-1-(oxiran-2-ylmethyl)piperidin-3-amine?
The canonical SMILES for 2,2,6,6-tetramethyl-1-(oxiran-2-ylmethyl)piperidin-3-amine is CC1(C)CCC(N)C(C)(C)N1CC1CO1.
What is the InChIKey of 2,2,6,6-tetramethyl-1-(oxiran-2-ylmethyl)piperidin-3-amine?
The InChIKey is PIVLZVPLSQTMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-11(2)6-5-10(13)12(3,4)14(11)7-9-8-15-9/h9-10H,5-8,13H2,1-4H3.
What are the key properties of 2,2,6,6-tetramethyl-1-(oxiran-2-ylmethyl)piperidin-3-amine?
2,2,6,6-tetramethyl-1-(oxiran-2-ylmethyl)piperidin-3-amine has a molecular weight of 212.34 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-1-(oxiran-2-ylmethyl)piperidin-3-amine is sourced from PubChem (CID 141318729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).