4-(4-ethylpiperidin-1-yl)-2-methylbenzenecarboximidamide

C15H23N3 — CID 81279437

IUPAC4-(4-ethylpiperidin-1-yl)-2-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCC(CC)CC2)cc1C
InChIInChI=1S/C15H23N3/c1-3-12-6-8-18(9-7-12)13-4-5-14(15(16)17)11(2)10-13/h4-5,10,12H,3,6-9H2,1-2H3,(H3,16,17)
InChIKeyOSNBPSNQIFYKQD-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.91
Rot. Bonds3

About 4-(4-ethylpiperidin-1-yl)-2-methylbenzenecarboximidamide

4-(4-ethylpiperidin-1-yl)-2-methylbenzenecarboximidamide (PubChem CID 81279437) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-(4-ethylpiperidin-1-yl)-2-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-(4-ethylpiperidin-1-yl)-2-methylbenzenecarboximidamide
PubChem CID81279437
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name4-(4-ethylpiperidin-1-yl)-2-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCC(CC)CC2)cc1C
InChIInChI=1S/C15H23N3/c1-3-12-6-8-18(9-7-12)13-4-5-14(15(16)17)11(2)10-13/h4-5,10,12H,3,6-9H2,1-2H3,(H3,16,17)
InChIKeyOSNBPSNQIFYKQD-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
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

4-(azocan-1-yl)-2-methylbenzenecarboximidamide
CID 81279161
2-methyl-4-thiomorpholin-4-ylbenzenecarboximidamide
CID 81278736
2-methyl-4-(4-propan-2-ylpiperazin-1-yl)benzenecarboximidamide
CID 81279590
2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide
CID 81278860
4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylbenzenecarboximidamide
CID 81278399
3-chloro-4-(4-ethylpiperidin-1-yl)benzenecarboximidamide
CID 63088065
2-methyl-4-(2-methylmorpholin-4-yl)benzenecarboximidamide
CID 81279659
2-methyl-4-(2-methylazepan-1-yl)benzenecarboximidamide
CID 81279467
2-(4-ethylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide
CID 107550246
4-(3-ethylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide
CID 43584574
4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylbenzenecarboximidamide
CID 114777104
4-[4-(hydroxymethyl)piperidin-1-yl]-2-methylbenzoic acid
CID 113400000

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperidin-1-yl)-2-methylbenzenecarboximidamide?
The IUPAC name of 4-(4-ethylpiperidin-1-yl)-2-methylbenzenecarboximidamide (CID 81279437) is 4-(4-ethylpiperidin-1-yl)-2-methylbenzenecarboximidamide.
What is the SMILES notation for 4-(4-ethylpiperidin-1-yl)-2-methylbenzenecarboximidamide?
The canonical SMILES for 4-(4-ethylpiperidin-1-yl)-2-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(N2CCC(CC)CC2)cc1C.
What is the InChIKey of 4-(4-ethylpiperidin-1-yl)-2-methylbenzenecarboximidamide?
The InChIKey is OSNBPSNQIFYKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-3-12-6-8-18(9-7-12)13-4-5-14(15(16)17)11(2)10-13/h4-5,10,12H,3,6-9H2,1-2H3,(H3,16,17).
What are the key properties of 4-(4-ethylpiperidin-1-yl)-2-methylbenzenecarboximidamide?
4-(4-ethylpiperidin-1-yl)-2-methylbenzenecarboximidamide has a molecular weight of 245.37 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperidin-1-yl)-2-methylbenzenecarboximidamide is sourced from PubChem (CID 81279437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).