3-ethyl-1-(1-pyrazin-2-ylethyl)piperidin-4-amine

C13H22N4 — CID 81458622

IUPAC3-ethyl-1-(1-pyrazin-2-ylethyl)piperidin-4-amine
SMILESCCC1CN(C(C)c2cnccn2)CCC1N
InChIInChI=1S/C13H22N4/c1-3-11-9-17(7-4-12(11)14)10(2)13-8-15-5-6-16-13/h5-6,8,10-12H,3-4,7,9,14H2,1-2H3
InChIKeyUFNQSYLQQQMIRM-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.60
Rot. Bonds3

About 3-ethyl-1-(1-pyrazin-2-ylethyl)piperidin-4-amine

3-ethyl-1-(1-pyrazin-2-ylethyl)piperidin-4-amine (PubChem CID 81458622) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 3-ethyl-1-(1-pyrazin-2-ylethyl)piperidin-4-amine.

Molecular Properties

Compound Name3-ethyl-1-(1-pyrazin-2-ylethyl)piperidin-4-amine
PubChem CID81458622
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name3-ethyl-1-(1-pyrazin-2-ylethyl)piperidin-4-amine
SMILESCCC1CN(C(C)c2cnccn2)CCC1N
InChIInChI=1S/C13H22N4/c1-3-11-9-17(7-4-12(11)14)10(2)13-8-15-5-6-16-13/h5-6,8,10-12H,3-4,7,9,14H2,1-2H3
InChIKeyUFNQSYLQQQMIRM-UHFFFAOYSA-N
XLogP1.60
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(1-pyrazin-2-ylethyl)piperidin-4-amine?
The IUPAC name of 3-ethyl-1-(1-pyrazin-2-ylethyl)piperidin-4-amine (CID 81458622) is 3-ethyl-1-(1-pyrazin-2-ylethyl)piperidin-4-amine.
What is the SMILES notation for 3-ethyl-1-(1-pyrazin-2-ylethyl)piperidin-4-amine?
The canonical SMILES for 3-ethyl-1-(1-pyrazin-2-ylethyl)piperidin-4-amine is CCC1CN(C(C)c2cnccn2)CCC1N.
What is the InChIKey of 3-ethyl-1-(1-pyrazin-2-ylethyl)piperidin-4-amine?
The InChIKey is UFNQSYLQQQMIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-3-11-9-17(7-4-12(11)14)10(2)13-8-15-5-6-16-13/h5-6,8,10-12H,3-4,7,9,14H2,1-2H3.
What are the key properties of 3-ethyl-1-(1-pyrazin-2-ylethyl)piperidin-4-amine?
3-ethyl-1-(1-pyrazin-2-ylethyl)piperidin-4-amine has a molecular weight of 234.35 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(1-pyrazin-2-ylethyl)piperidin-4-amine is sourced from PubChem (CID 81458622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).