N-[(1-ethylpyrrolidin-3-yl)methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide

C20H32N4O — CID 109428071

IUPACN-[(1-ethylpyrrolidin-3-yl)methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
SMILESCCN1CCC(CN/C(=N\C)N2CCC(Oc3ccccc3)CC2)C1
InChIInChI=1S/C20H32N4O/c1-3-23-12-9-17(16-23)15-22-20(21-2)24-13-10-19(11-14-24)25-18-7-5-4-6-8-18/h4-8,17,19H,3,9-16H2,1-2H3,(H,21,22)
InChIKeyGMKIMJCJIFWXAP-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.45
Rot. Bonds5

About N-[(1-ethylpyrrolidin-3-yl)methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide

N-[(1-ethylpyrrolidin-3-yl)methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide (PubChem CID 109428071) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-3-yl)methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-3-yl)methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
PubChem CID109428071
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC NameN-[(1-ethylpyrrolidin-3-yl)methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
SMILESCCN1CCC(CN/C(=N\C)N2CCC(Oc3ccccc3)CC2)C1
InChIInChI=1S/C20H32N4O/c1-3-23-12-9-17(16-23)15-22-20(21-2)24-13-10-19(11-14-24)25-18-7-5-4-6-8-18/h4-8,17,19H,3,9-16H2,1-2H3,(H,21,22)
InChIKeyGMKIMJCJIFWXAP-UHFFFAOYSA-N
XLogP2.45
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.45
H-Bond Donors ≤ 51
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

N-[(1-ethylpiperidin-3-yl)methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426437
N'-methyl-4-phenoxy-N-[(1-propylpiperidin-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 109426317
N'-methyl-4-phenoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 109426757
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109427353
N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(2-fluorophenyl)-N'-methylpiperazine-1-carboximidamide
CID 111148855
N-[(1-ethylpiperidin-2-yl)methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109428016
N-ethyl-4-phenoxy-N'-[(1-propylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 109426627
N-[(1-ethylpiperidin-3-yl)methyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide
CID 110960917
N'-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427388
N'-methyl-N-(3-methylbutyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425993
N-(2,2-difluoroethyl)-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426691
N-ethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-4-phenoxypiperidine-1-carboximidamide
CID 109427283

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide?
The IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide (CID 109428071) is N-[(1-ethylpyrrolidin-3-yl)methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-3-yl)methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-3-yl)methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide is CCN1CCC(CN/C(=N\C)N2CCC(Oc3ccccc3)CC2)C1.
What is the InChIKey of N-[(1-ethylpyrrolidin-3-yl)methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide?
The InChIKey is GMKIMJCJIFWXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-3-23-12-9-17(16-23)15-22-20(21-2)24-13-10-19(11-14-24)25-18-7-5-4-6-8-18/h4-8,17,19H,3,9-16H2,1-2H3,(H,21,22).
What are the key properties of N-[(1-ethylpyrrolidin-3-yl)methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide?
N-[(1-ethylpyrrolidin-3-yl)methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide has a molecular weight of 344.50 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-3-yl)methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide is sourced from PubChem (CID 109428071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).