2-[4-(aminomethyl)piperidin-1-yl]-1-pyrazin-2-ylethanone;hydrochloride

C12H19ClN4O — CID 71644829

IUPAC2-[4-(aminomethyl)piperidin-1-yl]-1-pyrazin-2-ylethanone;hydrochloride
SMILESCl.NCC1CCN(CC(=O)c2cnccn2)CC1
InChIInChI=1S/C12H18N4O.ClH/c13-7-10-1-5-16(6-2-10)9-12(17)11-8-14-3-4-15-11;/h3-4,8,10H,1-2,5-7,9,13H2;1H
InChIKeyRMRBUQKTKQBHDK-UHFFFAOYSA-N
MW270.76 g/mol
LogP0.75
Rot. Bonds4

About 2-[4-(aminomethyl)piperidin-1-yl]-1-pyrazin-2-ylethanone;hydrochloride

2-[4-(aminomethyl)piperidin-1-yl]-1-pyrazin-2-ylethanone;hydrochloride (PubChem CID 71644829) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-[4-(aminomethyl)piperidin-1-yl]-1-pyrazin-2-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-[4-(aminomethyl)piperidin-1-yl]-1-pyrazin-2-ylethanone;hydrochloride
PubChem CID71644829
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name2-[4-(aminomethyl)piperidin-1-yl]-1-pyrazin-2-ylethanone;hydrochloride
SMILESCl.NCC1CCN(CC(=O)c2cnccn2)CC1
InChIInChI=1S/C12H18N4O.ClH/c13-7-10-1-5-16(6-2-10)9-12(17)11-8-14-3-4-15-11;/h3-4,8,10H,1-2,5-7,9,13H2;1H
InChIKeyRMRBUQKTKQBHDK-UHFFFAOYSA-N
XLogP0.75
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)piperidin-1-yl]-1-pyrazin-2-ylethanone;hydrochloride?
The IUPAC name of 2-[4-(aminomethyl)piperidin-1-yl]-1-pyrazin-2-ylethanone;hydrochloride (CID 71644829) is 2-[4-(aminomethyl)piperidin-1-yl]-1-pyrazin-2-ylethanone;hydrochloride.
What is the SMILES notation for 2-[4-(aminomethyl)piperidin-1-yl]-1-pyrazin-2-ylethanone;hydrochloride?
The canonical SMILES for 2-[4-(aminomethyl)piperidin-1-yl]-1-pyrazin-2-ylethanone;hydrochloride is Cl.NCC1CCN(CC(=O)c2cnccn2)CC1.
What is the InChIKey of 2-[4-(aminomethyl)piperidin-1-yl]-1-pyrazin-2-ylethanone;hydrochloride?
The InChIKey is RMRBUQKTKQBHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O.ClH/c13-7-10-1-5-16(6-2-10)9-12(17)11-8-14-3-4-15-11;/h3-4,8,10H,1-2,5-7,9,13H2;1H.
What are the key properties of 2-[4-(aminomethyl)piperidin-1-yl]-1-pyrazin-2-ylethanone;hydrochloride?
2-[4-(aminomethyl)piperidin-1-yl]-1-pyrazin-2-ylethanone;hydrochloride has a molecular weight of 270.76 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)piperidin-1-yl]-1-pyrazin-2-ylethanone;hydrochloride is sourced from PubChem (CID 71644829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).