1-[1-(2-methoxyethyl)-4-methylpiperidin-4-yl]ethenamine

C11H22N2O — CID 142952247

IUPAC1-[1-(2-methoxyethyl)-4-methylpiperidin-4-yl]ethenamine
SMILESC=C(N)C1(C)CCN(CCOC)CC1
InChIInChI=1S/C11H22N2O/c1-10(12)11(2)4-6-13(7-5-11)8-9-14-3/h1,4-9,12H2,2-3H3
InChIKeyGNDMMWIDYCPPTL-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.21
Rot. Bonds4

About 1-[1-(2-methoxyethyl)-4-methylpiperidin-4-yl]ethenamine

1-[1-(2-methoxyethyl)-4-methylpiperidin-4-yl]ethenamine (PubChem CID 142952247) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)-4-methylpiperidin-4-yl]ethenamine.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)-4-methylpiperidin-4-yl]ethenamine
PubChem CID142952247
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-[1-(2-methoxyethyl)-4-methylpiperidin-4-yl]ethenamine
SMILESC=C(N)C1(C)CCN(CCOC)CC1
InChIInChI=1S/C11H22N2O/c1-10(12)11(2)4-6-13(7-5-11)8-9-14-3/h1,4-9,12H2,2-3H3
InChIKeyGNDMMWIDYCPPTL-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)-4-methylpiperidin-4-yl]ethenamine?
The IUPAC name of 1-[1-(2-methoxyethyl)-4-methylpiperidin-4-yl]ethenamine (CID 142952247) is 1-[1-(2-methoxyethyl)-4-methylpiperidin-4-yl]ethenamine.
What is the SMILES notation for 1-[1-(2-methoxyethyl)-4-methylpiperidin-4-yl]ethenamine?
The canonical SMILES for 1-[1-(2-methoxyethyl)-4-methylpiperidin-4-yl]ethenamine is C=C(N)C1(C)CCN(CCOC)CC1.
What is the InChIKey of 1-[1-(2-methoxyethyl)-4-methylpiperidin-4-yl]ethenamine?
The InChIKey is GNDMMWIDYCPPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-10(12)11(2)4-6-13(7-5-11)8-9-14-3/h1,4-9,12H2,2-3H3.
What are the key properties of 1-[1-(2-methoxyethyl)-4-methylpiperidin-4-yl]ethenamine?
1-[1-(2-methoxyethyl)-4-methylpiperidin-4-yl]ethenamine has a molecular weight of 198.31 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)-4-methylpiperidin-4-yl]ethenamine is sourced from PubChem (CID 142952247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).