5-chloro-2-[(1-ethylpiperidin-4-yl)-methylamino]benzenecarboximidamide

C15H23ClN4 — CID 62494113

IUPAC5-chloro-2-[(1-ethylpiperidin-4-yl)-methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1N(C)C1CCN(CC)CC1
InChIInChI=1S/C15H23ClN4/c1-3-20-8-6-12(7-9-20)19(2)14-5-4-11(16)10-13(14)15(17)18/h4-5,10,12H,3,6-9H2,1-2H3,(H3,17,18)
InChIKeyUTFCGGVRUVFRIS-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.54
Rot. Bonds4

About 5-chloro-2-[(1-ethylpiperidin-4-yl)-methylamino]benzenecarboximidamide

5-chloro-2-[(1-ethylpiperidin-4-yl)-methylamino]benzenecarboximidamide (PubChem CID 62494113) has the molecular formula C15H23ClN4 and a molecular weight of 294.83 g/mol. Its IUPAC name is 5-chloro-2-[(1-ethylpiperidin-4-yl)-methylamino]benzenecarboximidamide.

Molecular Properties

Compound Name5-chloro-2-[(1-ethylpiperidin-4-yl)-methylamino]benzenecarboximidamide
PubChem CID62494113
Molecular FormulaC15H23ClN4
Molecular Weight294.83 g/mol
Exact Mass294.16
IUPAC Name5-chloro-2-[(1-ethylpiperidin-4-yl)-methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1N(C)C1CCN(CC)CC1
InChIInChI=1S/C15H23ClN4/c1-3-20-8-6-12(7-9-20)19(2)14-5-4-11(16)10-13(14)15(17)18/h4-5,10,12H,3,6-9H2,1-2H3,(H3,17,18)
InChIKeyUTFCGGVRUVFRIS-UHFFFAOYSA-N
XLogP2.54
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

5-bromo-2-[(1-ethylpiperidin-4-yl)-methylamino]benzenecarboximidamide
CID 114892967
N-[2-(2-aminoethyl)-4-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 114861329
2-[butan-2-yl(methyl)amino]-5-chlorobenzenecarboximidamide
CID 62493913
N-[2-(bromomethyl)-4-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 107082125
5-chloro-2-[methyl(propyl)amino]benzenecarboximidamide
CID 62493754
5-chloro-2-[methyl-(2-methyloxolan-3-yl)amino]benzenecarboximidamide
CID 82739406
N-[4-chloro-2-(methylaminomethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 114850104
4-chloro-2-[cyclopropyl(ethyl)amino]benzenecarboximidamide
CID 63093350
2-[cyclopropyl(methyl)amino]-5-(trifluoromethyl)benzenecarboximidamide
CID 43265029
5-bromo-2-[(1-ethylpiperidin-4-yl)-methylamino]benzenecarbothioamide
CID 114891586
2-[bis(2-methylpropyl)amino]-5-chlorobenzenecarboximidamide
CID 62494094
5-chloro-2-[1-(4-chlorophenyl)ethyl-methylamino]benzenecarboximidamide
CID 62978649

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(1-ethylpiperidin-4-yl)-methylamino]benzenecarboximidamide?
The IUPAC name of 5-chloro-2-[(1-ethylpiperidin-4-yl)-methylamino]benzenecarboximidamide (CID 62494113) is 5-chloro-2-[(1-ethylpiperidin-4-yl)-methylamino]benzenecarboximidamide.
What is the SMILES notation for 5-chloro-2-[(1-ethylpiperidin-4-yl)-methylamino]benzenecarboximidamide?
The canonical SMILES for 5-chloro-2-[(1-ethylpiperidin-4-yl)-methylamino]benzenecarboximidamide is [H]/N=C(\N)c1cc(Cl)ccc1N(C)C1CCN(CC)CC1.
What is the InChIKey of 5-chloro-2-[(1-ethylpiperidin-4-yl)-methylamino]benzenecarboximidamide?
The InChIKey is UTFCGGVRUVFRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4/c1-3-20-8-6-12(7-9-20)19(2)14-5-4-11(16)10-13(14)15(17)18/h4-5,10,12H,3,6-9H2,1-2H3,(H3,17,18).
What are the key properties of 5-chloro-2-[(1-ethylpiperidin-4-yl)-methylamino]benzenecarboximidamide?
5-chloro-2-[(1-ethylpiperidin-4-yl)-methylamino]benzenecarboximidamide has a molecular weight of 294.83 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(1-ethylpiperidin-4-yl)-methylamino]benzenecarboximidamide is sourced from PubChem (CID 62494113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).