2-[4-(pyrazin-2-ylmethyl)piperidin-1-yl]aniline

C16H20N4 — CID 166583746

IUPAC2-[4-(pyrazin-2-ylmethyl)piperidin-1-yl]aniline
SMILESNc1ccccc1N1CCC(Cc2cnccn2)CC1
InChIInChI=1S/C16H20N4/c17-15-3-1-2-4-16(15)20-9-5-13(6-10-20)11-14-12-18-7-8-19-14/h1-4,7-8,12-13H,5-6,9-11,17H2
InChIKeyDEKUWWOZUOACLH-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.52
Rot. Bonds3

About 2-[4-(pyrazin-2-ylmethyl)piperidin-1-yl]aniline

2-[4-(pyrazin-2-ylmethyl)piperidin-1-yl]aniline (PubChem CID 166583746) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[4-(pyrazin-2-ylmethyl)piperidin-1-yl]aniline.

Molecular Properties

Compound Name2-[4-(pyrazin-2-ylmethyl)piperidin-1-yl]aniline
PubChem CID166583746
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name2-[4-(pyrazin-2-ylmethyl)piperidin-1-yl]aniline
SMILESNc1ccccc1N1CCC(Cc2cnccn2)CC1
InChIInChI=1S/C16H20N4/c17-15-3-1-2-4-16(15)20-9-5-13(6-10-20)11-14-12-18-7-8-19-14/h1-4,7-8,12-13H,5-6,9-11,17H2
InChIKeyDEKUWWOZUOACLH-UHFFFAOYSA-N
XLogP2.52
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyrazin-2-ylmethyl)piperidin-1-yl]aniline?
The IUPAC name of 2-[4-(pyrazin-2-ylmethyl)piperidin-1-yl]aniline (CID 166583746) is 2-[4-(pyrazin-2-ylmethyl)piperidin-1-yl]aniline.
What is the SMILES notation for 2-[4-(pyrazin-2-ylmethyl)piperidin-1-yl]aniline?
The canonical SMILES for 2-[4-(pyrazin-2-ylmethyl)piperidin-1-yl]aniline is Nc1ccccc1N1CCC(Cc2cnccn2)CC1.
What is the InChIKey of 2-[4-(pyrazin-2-ylmethyl)piperidin-1-yl]aniline?
The InChIKey is DEKUWWOZUOACLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c17-15-3-1-2-4-16(15)20-9-5-13(6-10-20)11-14-12-18-7-8-19-14/h1-4,7-8,12-13H,5-6,9-11,17H2.
What are the key properties of 2-[4-(pyrazin-2-ylmethyl)piperidin-1-yl]aniline?
2-[4-(pyrazin-2-ylmethyl)piperidin-1-yl]aniline has a molecular weight of 268.36 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyrazin-2-ylmethyl)piperidin-1-yl]aniline is sourced from PubChem (CID 166583746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).