N-methyl-N-(piperidin-4-ylmethyl)quinoxalin-2-amine;hydrochloride

C15H21ClN4 — CID 71642440

IUPACN-methyl-N-(piperidin-4-ylmethyl)quinoxalin-2-amine;hydrochloride
SMILESCN(CC1CCNCC1)c1cnc2ccccc2n1.Cl
InChIInChI=1S/C15H20N4.ClH/c1-19(11-12-6-8-16-9-7-12)15-10-17-13-4-2-3-5-14(13)18-15;/h2-5,10,12,16H,6-9,11H2,1H3;1H
InChIKeyKIFFHYSVMIWVIW-UHFFFAOYSA-N
MW292.81 g/mol
LogP2.49
Rot. Bonds3

About N-methyl-N-(piperidin-4-ylmethyl)quinoxalin-2-amine;hydrochloride

N-methyl-N-(piperidin-4-ylmethyl)quinoxalin-2-amine;hydrochloride (PubChem CID 71642440) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is N-methyl-N-(piperidin-4-ylmethyl)quinoxalin-2-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-(piperidin-4-ylmethyl)quinoxalin-2-amine;hydrochloride
PubChem CID71642440
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC NameN-methyl-N-(piperidin-4-ylmethyl)quinoxalin-2-amine;hydrochloride
SMILESCN(CC1CCNCC1)c1cnc2ccccc2n1.Cl
InChIInChI=1S/C15H20N4.ClH/c1-19(11-12-6-8-16-9-7-12)15-10-17-13-4-2-3-5-14(13)18-15;/h2-5,10,12,16H,6-9,11H2,1H3;1H
InChIKeyKIFFHYSVMIWVIW-UHFFFAOYSA-N
XLogP2.49
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(piperidin-4-ylmethyl)quinoxalin-2-amine;hydrochloride?
The IUPAC name of N-methyl-N-(piperidin-4-ylmethyl)quinoxalin-2-amine;hydrochloride (CID 71642440) is N-methyl-N-(piperidin-4-ylmethyl)quinoxalin-2-amine;hydrochloride.
What is the SMILES notation for N-methyl-N-(piperidin-4-ylmethyl)quinoxalin-2-amine;hydrochloride?
The canonical SMILES for N-methyl-N-(piperidin-4-ylmethyl)quinoxalin-2-amine;hydrochloride is CN(CC1CCNCC1)c1cnc2ccccc2n1.Cl.
What is the InChIKey of N-methyl-N-(piperidin-4-ylmethyl)quinoxalin-2-amine;hydrochloride?
The InChIKey is KIFFHYSVMIWVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4.ClH/c1-19(11-12-6-8-16-9-7-12)15-10-17-13-4-2-3-5-14(13)18-15;/h2-5,10,12,16H,6-9,11H2,1H3;1H.
What are the key properties of N-methyl-N-(piperidin-4-ylmethyl)quinoxalin-2-amine;hydrochloride?
N-methyl-N-(piperidin-4-ylmethyl)quinoxalin-2-amine;hydrochloride has a molecular weight of 292.81 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(piperidin-4-ylmethyl)quinoxalin-2-amine;hydrochloride is sourced from PubChem (CID 71642440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).