2-(4,4-diethylpiperidin-1-yl)-4-methoxybenzenecarboximidamide

C17H27N3O — CID 81299371

IUPAC2-(4,4-diethylpiperidin-1-yl)-4-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1N1CCC(CC)(CC)CC1
InChIInChI=1S/C17H27N3O/c1-4-17(5-2)8-10-20(11-9-17)15-12-13(21-3)6-7-14(15)16(18)19/h6-7,12H,4-5,8-11H2,1-3H3,(H3,18,19)
InChIKeyNEILQZOUBXFYMB-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.39
Rot. Bonds5

About 2-(4,4-diethylpiperidin-1-yl)-4-methoxybenzenecarboximidamide

2-(4,4-diethylpiperidin-1-yl)-4-methoxybenzenecarboximidamide (PubChem CID 81299371) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(4,4-diethylpiperidin-1-yl)-4-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name2-(4,4-diethylpiperidin-1-yl)-4-methoxybenzenecarboximidamide
PubChem CID81299371
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-(4,4-diethylpiperidin-1-yl)-4-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1N1CCC(CC)(CC)CC1
InChIInChI=1S/C17H27N3O/c1-4-17(5-2)8-10-20(11-9-17)15-12-13(21-3)6-7-14(15)16(18)19/h6-7,12H,4-5,8-11H2,1-3H3,(H3,18,19)
InChIKeyNEILQZOUBXFYMB-UHFFFAOYSA-N
XLogP3.39
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.39
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'}

Analyze 2-(4,4-diethylpiperidin-1-yl)-4-methoxybenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-tert-butylpiperazin-1-yl)-4-methoxybenzenecarboximidamide
CID 81300125
4-methoxy-2-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide
CID 81299546
4-methoxy-2-[4-(trifluoromethyl)piperidin-1-yl]benzenecarboximidamide
CID 81299929
5-bromo-2-(4,4-diethylpiperidin-1-yl)benzenecarboximidamide
CID 114893031
2-[2-(hydroxymethyl)piperidin-1-yl]-4-methoxybenzenecarboximidamide
CID 81303122
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-methoxybenzenecarboximidamide
CID 102726594
4-methoxy-2-(2-methylazepan-1-yl)benzenecarboximidamide
CID 81302848
2-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methoxybenzenecarboximidamide
CID 81303118
2-(azepan-1-yl)-4-methylbenzenecarboximidamide
CID 55057394
2,4-dimethoxybenzenecarboximidamide
CID 4138242
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-4-methoxybenzenecarboximidamide
CID 81302532
2-ethylsulfanyl-4-methoxybenzenecarboximidamide
CID 81303342

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-diethylpiperidin-1-yl)-4-methoxybenzenecarboximidamide?
The IUPAC name of 2-(4,4-diethylpiperidin-1-yl)-4-methoxybenzenecarboximidamide (CID 81299371) is 2-(4,4-diethylpiperidin-1-yl)-4-methoxybenzenecarboximidamide.
What is the SMILES notation for 2-(4,4-diethylpiperidin-1-yl)-4-methoxybenzenecarboximidamide?
The canonical SMILES for 2-(4,4-diethylpiperidin-1-yl)-4-methoxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(OC)cc1N1CCC(CC)(CC)CC1.
What is the InChIKey of 2-(4,4-diethylpiperidin-1-yl)-4-methoxybenzenecarboximidamide?
The InChIKey is NEILQZOUBXFYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-17(5-2)8-10-20(11-9-17)15-12-13(21-3)6-7-14(15)16(18)19/h6-7,12H,4-5,8-11H2,1-3H3,(H3,18,19).
What are the key properties of 2-(4,4-diethylpiperidin-1-yl)-4-methoxybenzenecarboximidamide?
2-(4,4-diethylpiperidin-1-yl)-4-methoxybenzenecarboximidamide has a molecular weight of 289.42 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-diethylpiperidin-1-yl)-4-methoxybenzenecarboximidamide is sourced from PubChem (CID 81299371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).