4-methyl-1-(3-methylquinoxalin-2-yl)piperidine-4-carboximidamide

C16H21N5 — CID 107162205

IUPAC4-methyl-1-(3-methylquinoxalin-2-yl)piperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1(C)CCN(c2nc3ccccc3nc2C)CC1
InChIInChI=1S/C16H21N5/c1-11-14(20-13-6-4-3-5-12(13)19-11)21-9-7-16(2,8-10-21)15(17)18/h3-6H,7-10H2,1-2H3,(H3,17,18)
InChIKeyVIXWTCBYLJDCAK-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.48
Rot. Bonds2

About 4-methyl-1-(3-methylquinoxalin-2-yl)piperidine-4-carboximidamide

4-methyl-1-(3-methylquinoxalin-2-yl)piperidine-4-carboximidamide (PubChem CID 107162205) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-methyl-1-(3-methylquinoxalin-2-yl)piperidine-4-carboximidamide.

Molecular Properties

Compound Name4-methyl-1-(3-methylquinoxalin-2-yl)piperidine-4-carboximidamide
PubChem CID107162205
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name4-methyl-1-(3-methylquinoxalin-2-yl)piperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1(C)CCN(c2nc3ccccc3nc2C)CC1
InChIInChI=1S/C16H21N5/c1-11-14(20-13-6-4-3-5-12(13)19-11)21-9-7-16(2,8-10-21)15(17)18/h3-6H,7-10H2,1-2H3,(H3,17,18)
InChIKeyVIXWTCBYLJDCAK-UHFFFAOYSA-N
XLogP2.48
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-methyl-1-(3-methylpyrazin-2-yl)piperidine-4-carboximidamide
CID 107162294
3-methyl-1-(3-methylquinoxalin-2-yl)pyrrolidin-3-ol
CID 113341930
N'-(2-methylphenyl)-4-(3-methylquinoxalin-2-yl)piperazine-1-carboximidamide
CID 141390769
1-benzyl-4-methylpiperidine-4-carboximidamide
CID 107162081
4-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidine-4-carboximidamide
CID 107162142
1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpiperidine-4-carboximidamide
CID 107162197
4-methyl-1-(naphthalen-1-ylmethyl)piperidine-4-carboximidamide
CID 107162057
1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-4-methylpiperidine-4-carboximidamide
CID 107162239
2-methyl-3-(4-quinoxalin-2-ylpiperazin-1-yl)quinoxaline
CID 108776804
2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-methylquinoxaline
CID 139027361
3-methyl-1-(3-piperidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid
CID 122052354
1-[(4-hydroxyphenyl)methyl]-4-methylpiperidine-4-carboximidamide
CID 107162140

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-methylquinoxalin-2-yl)piperidine-4-carboximidamide?
The IUPAC name of 4-methyl-1-(3-methylquinoxalin-2-yl)piperidine-4-carboximidamide (CID 107162205) is 4-methyl-1-(3-methylquinoxalin-2-yl)piperidine-4-carboximidamide.
What is the SMILES notation for 4-methyl-1-(3-methylquinoxalin-2-yl)piperidine-4-carboximidamide?
The canonical SMILES for 4-methyl-1-(3-methylquinoxalin-2-yl)piperidine-4-carboximidamide is [H]/N=C(\N)C1(C)CCN(c2nc3ccccc3nc2C)CC1.
What is the InChIKey of 4-methyl-1-(3-methylquinoxalin-2-yl)piperidine-4-carboximidamide?
The InChIKey is VIXWTCBYLJDCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-11-14(20-13-6-4-3-5-12(13)19-11)21-9-7-16(2,8-10-21)15(17)18/h3-6H,7-10H2,1-2H3,(H3,17,18).
What are the key properties of 4-methyl-1-(3-methylquinoxalin-2-yl)piperidine-4-carboximidamide?
4-methyl-1-(3-methylquinoxalin-2-yl)piperidine-4-carboximidamide has a molecular weight of 283.38 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-methylquinoxalin-2-yl)piperidine-4-carboximidamide is sourced from PubChem (CID 107162205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).