N-[[6-(4-ethoxypiperidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine

C16H28N4O — CID 66457429

IUPACN-[[6-(4-ethoxypiperidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
SMILESCCOC1CCN(c2cncc(CNCC(C)C)n2)CC1
InChIInChI=1S/C16H28N4O/c1-4-21-15-5-7-20(8-6-15)16-12-18-11-14(19-16)10-17-9-13(2)3/h11-13,15,17H,4-10H2,1-3H3
InChIKeyVNMQOUFPVJVSIQ-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.23
Rot. Bonds7

About N-[[6-(4-ethoxypiperidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine

N-[[6-(4-ethoxypiperidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 66457429) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-[[6-(4-ethoxypiperidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[6-(4-ethoxypiperidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID66457429
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-[[6-(4-ethoxypiperidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
SMILESCCOC1CCN(c2cncc(CNCC(C)C)n2)CC1
InChIInChI=1S/C16H28N4O/c1-4-21-15-5-7-20(8-6-15)16-12-18-11-14(19-16)10-17-9-13(2)3/h11-13,15,17H,4-10H2,1-3H3
InChIKeyVNMQOUFPVJVSIQ-UHFFFAOYSA-N
XLogP2.23
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-ethoxypiperidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[6-(4-ethoxypiperidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine (CID 66457429) is N-[[6-(4-ethoxypiperidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[6-(4-ethoxypiperidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[6-(4-ethoxypiperidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine is CCOC1CCN(c2cncc(CNCC(C)C)n2)CC1.
What is the InChIKey of N-[[6-(4-ethoxypiperidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is VNMQOUFPVJVSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-21-15-5-7-20(8-6-15)16-12-18-11-14(19-16)10-17-9-13(2)3/h11-13,15,17H,4-10H2,1-3H3.
What are the key properties of N-[[6-(4-ethoxypiperidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine?
N-[[6-(4-ethoxypiperidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 292.43 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-ethoxypiperidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 66457429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).