2-[(3,5-dimethylpiperidin-1-yl)methyl]benzenecarboximidamide

C15H23N3 — CID 24708467

IUPAC2-[(3,5-dimethylpiperidin-1-yl)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1CN1CC(C)CC(C)C1
InChIInChI=1S/C15H23N3/c1-11-7-12(2)9-18(8-11)10-13-5-3-4-6-14(13)15(16)17/h3-6,11-12H,7-10H2,1-2H3,(H3,16,17)
InChIKeyULFKHFVUPISGIZ-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.45
Rot. Bonds3

About 2-[(3,5-dimethylpiperidin-1-yl)methyl]benzenecarboximidamide

2-[(3,5-dimethylpiperidin-1-yl)methyl]benzenecarboximidamide (PubChem CID 24708467) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-[(3,5-dimethylpiperidin-1-yl)methyl]benzenecarboximidamide.

Molecular Properties

Compound Name2-[(3,5-dimethylpiperidin-1-yl)methyl]benzenecarboximidamide
PubChem CID24708467
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2-[(3,5-dimethylpiperidin-1-yl)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1CN1CC(C)CC(C)C1
InChIInChI=1S/C15H23N3/c1-11-7-12(2)9-18(8-11)10-13-5-3-4-6-14(13)15(16)17/h3-6,11-12H,7-10H2,1-2H3,(H3,16,17)
InChIKeyULFKHFVUPISGIZ-UHFFFAOYSA-N
XLogP2.45
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylpiperidin-1-yl)methyl]benzenecarboximidamide?
The IUPAC name of 2-[(3,5-dimethylpiperidin-1-yl)methyl]benzenecarboximidamide (CID 24708467) is 2-[(3,5-dimethylpiperidin-1-yl)methyl]benzenecarboximidamide.
What is the SMILES notation for 2-[(3,5-dimethylpiperidin-1-yl)methyl]benzenecarboximidamide?
The canonical SMILES for 2-[(3,5-dimethylpiperidin-1-yl)methyl]benzenecarboximidamide is [H]/N=C(\N)c1ccccc1CN1CC(C)CC(C)C1.
What is the InChIKey of 2-[(3,5-dimethylpiperidin-1-yl)methyl]benzenecarboximidamide?
The InChIKey is ULFKHFVUPISGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-11-7-12(2)9-18(8-11)10-13-5-3-4-6-14(13)15(16)17/h3-6,11-12H,7-10H2,1-2H3,(H3,16,17).
What are the key properties of 2-[(3,5-dimethylpiperidin-1-yl)methyl]benzenecarboximidamide?
2-[(3,5-dimethylpiperidin-1-yl)methyl]benzenecarboximidamide has a molecular weight of 245.37 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylpiperidin-1-yl)methyl]benzenecarboximidamide is sourced from PubChem (CID 24708467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).