N'-ethyl-4-phenoxypiperidine-1-carboximidamide

C14H21N3O — CID 109426122

IUPACN'-ethyl-4-phenoxypiperidine-1-carboximidamide
SMILESCC/N=C(\N)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C14H21N3O/c1-2-16-14(15)17-10-8-13(9-11-17)18-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3,(H2,15,16)
InChIKeyCOEGSEUHKSJBQB-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.86
Rot. Bonds3

About N'-ethyl-4-phenoxypiperidine-1-carboximidamide

N'-ethyl-4-phenoxypiperidine-1-carboximidamide (PubChem CID 109426122) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N'-ethyl-4-phenoxypiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-ethyl-4-phenoxypiperidine-1-carboximidamide
PubChem CID109426122
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN'-ethyl-4-phenoxypiperidine-1-carboximidamide
SMILESCC/N=C(\N)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C14H21N3O/c1-2-16-14(15)17-10-8-13(9-11-17)18-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3,(H2,15,16)
InChIKeyCOEGSEUHKSJBQB-UHFFFAOYSA-N
XLogP1.86
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
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

N'-benzyl-4-methoxypiperidine-1-carboximidamide
CID 130165898
N'-ethyl-4-phenylpiperazine-1-carboximidamide
CID 55064093
2-ethoxy-1-(4-phenoxypiperidin-1-yl)ethanone
CID 61381248
N'-(2-cyclopropylethyl)-N-ethyl-4-phenoxypiperidine-1-carboximidamide
CID 109426874
2-(4-phenoxypiperidin-1-yl)acetamide
CID 47395345
phenyl 4-phenoxypiperidine-1-carboxylate
CID 110396730
N'-[3-(dimethylamino)propyl]-N-ethyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427920
3-amino-2-methoxy-1-(4-phenoxypiperidin-1-yl)propan-1-one
CID 106111809
4-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide;hydroiodide
CID 110919520
2-(butan-2-ylamino)-1-(4-phenoxypiperidin-1-yl)ethanone
CID 60858856
(2R)-2-amino-3-methyl-1-(4-phenoxypiperidin-1-yl)butan-1-one
CID 79013212
N-ethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-4-phenoxypiperidine-1-carboximidamide
CID 109427283

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-4-phenoxypiperidine-1-carboximidamide?
The IUPAC name of N'-ethyl-4-phenoxypiperidine-1-carboximidamide (CID 109426122) is N'-ethyl-4-phenoxypiperidine-1-carboximidamide.
What is the SMILES notation for N'-ethyl-4-phenoxypiperidine-1-carboximidamide?
The canonical SMILES for N'-ethyl-4-phenoxypiperidine-1-carboximidamide is CC/N=C(\N)N1CCC(Oc2ccccc2)CC1.
What is the InChIKey of N'-ethyl-4-phenoxypiperidine-1-carboximidamide?
The InChIKey is COEGSEUHKSJBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-16-14(15)17-10-8-13(9-11-17)18-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3,(H2,15,16).
What are the key properties of N'-ethyl-4-phenoxypiperidine-1-carboximidamide?
N'-ethyl-4-phenoxypiperidine-1-carboximidamide has a molecular weight of 247.34 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-4-phenoxypiperidine-1-carboximidamide is sourced from PubChem (CID 109426122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).