1-(2-methoxyethyl)-N-(3-methylbutan-2-yl)piperidin-4-amine

C13H28N2O — CID 115707229

IUPAC1-(2-methoxyethyl)-N-(3-methylbutan-2-yl)piperidin-4-amine
SMILESCOCCN1CCC(NC(C)C(C)C)CC1
InChIInChI=1S/C13H28N2O/c1-11(2)12(3)14-13-5-7-15(8-6-13)9-10-16-4/h11-14H,5-10H2,1-4H3
InChIKeyBVEZNKHAZYUWNI-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds6

About 1-(2-methoxyethyl)-N-(3-methylbutan-2-yl)piperidin-4-amine

1-(2-methoxyethyl)-N-(3-methylbutan-2-yl)piperidin-4-amine (PubChem CID 115707229) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-(3-methylbutan-2-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-(3-methylbutan-2-yl)piperidin-4-amine
PubChem CID115707229
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-(2-methoxyethyl)-N-(3-methylbutan-2-yl)piperidin-4-amine
SMILESCOCCN1CCC(NC(C)C(C)C)CC1
InChIInChI=1S/C13H28N2O/c1-11(2)12(3)14-13-5-7-15(8-6-13)9-10-16-4/h11-14H,5-10H2,1-4H3
InChIKeyBVEZNKHAZYUWNI-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-(3-methylbutan-2-yl)piperidin-4-amine?
The IUPAC name of 1-(2-methoxyethyl)-N-(3-methylbutan-2-yl)piperidin-4-amine (CID 115707229) is 1-(2-methoxyethyl)-N-(3-methylbutan-2-yl)piperidin-4-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-N-(3-methylbutan-2-yl)piperidin-4-amine?
The canonical SMILES for 1-(2-methoxyethyl)-N-(3-methylbutan-2-yl)piperidin-4-amine is COCCN1CCC(NC(C)C(C)C)CC1.
What is the InChIKey of 1-(2-methoxyethyl)-N-(3-methylbutan-2-yl)piperidin-4-amine?
The InChIKey is BVEZNKHAZYUWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11(2)12(3)14-13-5-7-15(8-6-13)9-10-16-4/h11-14H,5-10H2,1-4H3.
What are the key properties of 1-(2-methoxyethyl)-N-(3-methylbutan-2-yl)piperidin-4-amine?
1-(2-methoxyethyl)-N-(3-methylbutan-2-yl)piperidin-4-amine has a molecular weight of 228.38 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-(3-methylbutan-2-yl)piperidin-4-amine is sourced from PubChem (CID 115707229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).