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

C16H25N3 — CID 114593539

IUPAC3-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(CN2CC(C)CC(C)C2C)c1
InChIInChI=1S/C16H25N3/c1-11-7-12(2)13(3)19(9-11)10-14-5-4-6-15(8-14)16(17)18/h4-6,8,11-13H,7,9-10H2,1-3H3,(H3,17,18)
InChIKeyHQSYNQAUVUHXFI-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.84
Rot. Bonds3

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

3-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzenecarboximidamide (PubChem CID 114593539) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 3-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzenecarboximidamide
PubChem CID114593539
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name3-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(CN2CC(C)CC(C)C2C)c1
InChIInChI=1S/C16H25N3/c1-11-7-12(2)13(3)19(9-11)10-14-5-4-6-15(8-14)16(17)18/h4-6,8,11-13H,7,9-10H2,1-3H3,(H3,17,18)
InChIKeyHQSYNQAUVUHXFI-UHFFFAOYSA-N
XLogP2.84
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.84
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-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzoic acid
CID 114593971
3-[(4-methylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 24711714
3-[(2,6-dimethylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 24708310
3-[(3,4-dimethylpiperazin-1-yl)methyl]benzenecarboximidamide
CID 63610928
3-[[3-[(3-carbamimidoylphenyl)methyl]-2-oxoimidazol-1-yl]methyl]benzenecarboximidamide
CID 19689343
2-fluoro-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzenecarbothioamide
CID 107879532
4-[(2,4-dimethylpyrrolidin-1-yl)methyl]-2-methoxybenzenecarboximidamide
CID 106791012
3-[(4,4-diethylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 63158889
3-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]benzenecarboximidamide
CID 81198749
2-methoxy-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]aniline
CID 114592263
3-[(tert-butylamino)methyl]benzenecarboximidamide
CID 163795813
3-fluoro-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzoic acid
CID 114597359

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzenecarboximidamide?
The IUPAC name of 3-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzenecarboximidamide (CID 114593539) is 3-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzenecarboximidamide.
What is the SMILES notation for 3-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzenecarboximidamide?
The canonical SMILES for 3-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzenecarboximidamide is [H]/N=C(\N)c1cccc(CN2CC(C)CC(C)C2C)c1.
What is the InChIKey of 3-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzenecarboximidamide?
The InChIKey is HQSYNQAUVUHXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-11-7-12(2)13(3)19(9-11)10-14-5-4-6-15(8-14)16(17)18/h4-6,8,11-13H,7,9-10H2,1-3H3,(H3,17,18).
What are the key properties of 3-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzenecarboximidamide?
3-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzenecarboximidamide has a molecular weight of 259.40 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzenecarboximidamide is sourced from PubChem (CID 114593539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).