3-[(2,6-dimethylpiperidin-1-yl)methyl]benzenecarboximidamide

C15H23N3 — CID 24708310

IUPAC3-[(2,6-dimethylpiperidin-1-yl)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(CN2C(C)CCCC2C)c1
InChIInChI=1S/C15H23N3/c1-11-5-3-6-12(2)18(11)10-13-7-4-8-14(9-13)15(16)17/h4,7-9,11-12H,3,5-6,10H2,1-2H3,(H3,16,17)
InChIKeyQMSDCZPYNCALQV-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.73
Rot. Bonds3

About 3-[(2,6-dimethylpiperidin-1-yl)methyl]benzenecarboximidamide

3-[(2,6-dimethylpiperidin-1-yl)methyl]benzenecarboximidamide (PubChem CID 24708310) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-[(2,6-dimethylpiperidin-1-yl)methyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-[(2,6-dimethylpiperidin-1-yl)methyl]benzenecarboximidamide
PubChem CID24708310
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name3-[(2,6-dimethylpiperidin-1-yl)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(CN2C(C)CCCC2C)c1
InChIInChI=1S/C15H23N3/c1-11-5-3-6-12(2)18(11)10-13-7-4-8-14(9-13)15(16)17/h4,7-9,11-12H,3,5-6,10H2,1-2H3,(H3,16,17)
InChIKeyQMSDCZPYNCALQV-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
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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Related Compounds

3-[(2,6-dimethylpiperidin-1-yl)methyl]benzenecarbothioamide
CID 43185042
3-[(4-methylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 24711714
3-[(3,4-dimethylpiperazin-1-yl)methyl]benzenecarboximidamide
CID 63610928
3-[4-[4-[(2,6-dimethylpiperidin-1-yl)methyl]phenyl]-3H-quinoxalin-2-yl]benzenecarboximidamide
CID 18475942
3-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 114593539
3-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]benzenecarboximidamide
CID 81198749
3-[[3-[(3-carbamimidoylphenyl)methyl]-2-oxoimidazol-1-yl]methyl]benzenecarboximidamide
CID 19689343
3-[[(2-hydroxycyclohexyl)-methylamino]methyl]benzenecarboximidamide
CID 102632464
3-[(4,4-diethylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 63158889
3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzenecarboximidamide
CID 63236274
3-[[methyl-(2-methyloxolan-3-yl)amino]methyl]benzenecarboximidamide
CID 82739133
3-(cyclobutylmethoxy)benzenecarboximidamide
CID 42656936

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dimethylpiperidin-1-yl)methyl]benzenecarboximidamide?
The IUPAC name of 3-[(2,6-dimethylpiperidin-1-yl)methyl]benzenecarboximidamide (CID 24708310) is 3-[(2,6-dimethylpiperidin-1-yl)methyl]benzenecarboximidamide.
What is the SMILES notation for 3-[(2,6-dimethylpiperidin-1-yl)methyl]benzenecarboximidamide?
The canonical SMILES for 3-[(2,6-dimethylpiperidin-1-yl)methyl]benzenecarboximidamide is [H]/N=C(\N)c1cccc(CN2C(C)CCCC2C)c1.
What is the InChIKey of 3-[(2,6-dimethylpiperidin-1-yl)methyl]benzenecarboximidamide?
The InChIKey is QMSDCZPYNCALQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-11-5-3-6-12(2)18(11)10-13-7-4-8-14(9-13)15(16)17/h4,7-9,11-12H,3,5-6,10H2,1-2H3,(H3,16,17).
What are the key properties of 3-[(2,6-dimethylpiperidin-1-yl)methyl]benzenecarboximidamide?
3-[(2,6-dimethylpiperidin-1-yl)methyl]benzenecarboximidamide has a molecular weight of 245.37 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dimethylpiperidin-1-yl)methyl]benzenecarboximidamide is sourced from PubChem (CID 24708310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).