1-[(3-methoxypyrazin-2-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride

C12H21ClN4O — CID 71642744

IUPAC1-[(3-methoxypyrazin-2-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride
SMILESCNC1CCCN(Cc2nccnc2OC)C1.Cl
InChIInChI=1S/C12H20N4O.ClH/c1-13-10-4-3-7-16(8-10)9-11-12(17-2)15-6-5-14-11;/h5-6,10,13H,3-4,7-9H2,1-2H3;1H
InChIKeyROBRTNZOBTVOAM-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.09
Rot. Bonds4

About 1-[(3-methoxypyrazin-2-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride

1-[(3-methoxypyrazin-2-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride (PubChem CID 71642744) has the molecular formula C12H21ClN4O and a molecular weight of 272.78 g/mol. Its IUPAC name is 1-[(3-methoxypyrazin-2-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[(3-methoxypyrazin-2-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride
PubChem CID71642744
Molecular FormulaC12H21ClN4O
Molecular Weight272.78 g/mol
Exact Mass272.14
IUPAC Name1-[(3-methoxypyrazin-2-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride
SMILESCNC1CCCN(Cc2nccnc2OC)C1.Cl
InChIInChI=1S/C12H20N4O.ClH/c1-13-10-4-3-7-16(8-10)9-11-12(17-2)15-6-5-14-11;/h5-6,10,13H,3-4,7-9H2,1-2H3;1H
InChIKeyROBRTNZOBTVOAM-UHFFFAOYSA-N
XLogP1.09
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxypyrazin-2-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride?
The IUPAC name of 1-[(3-methoxypyrazin-2-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride (CID 71642744) is 1-[(3-methoxypyrazin-2-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride.
What is the SMILES notation for 1-[(3-methoxypyrazin-2-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride?
The canonical SMILES for 1-[(3-methoxypyrazin-2-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride is CNC1CCCN(Cc2nccnc2OC)C1.Cl.
What is the InChIKey of 1-[(3-methoxypyrazin-2-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride?
The InChIKey is ROBRTNZOBTVOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O.ClH/c1-13-10-4-3-7-16(8-10)9-11-12(17-2)15-6-5-14-11;/h5-6,10,13H,3-4,7-9H2,1-2H3;1H.
What are the key properties of 1-[(3-methoxypyrazin-2-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride?
1-[(3-methoxypyrazin-2-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxypyrazin-2-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride is sourced from PubChem (CID 71642744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).