4-ethoxy-N'-ethyl-N,N-dimethylpiperidine-1-carboximidamide;hydroiodide

C12H26IN3O — CID 111958958

IUPAC4-ethoxy-N'-ethyl-N,N-dimethylpiperidine-1-carboximidamide;hydroiodide
SMILESCC/N=C(\N(C)C)N1CCC(OCC)CC1.I
InChIInChI=1S/C12H25N3O.HI/c1-5-13-12(14(3)4)15-9-7-11(8-10-15)16-6-2;/h11H,5-10H2,1-4H3;1H/b13-12+;
InChIKeyPKGXBEAWJQQNTG-UEIGIMKUSA-N
MW355.26 g/mol
LogP2.04
Rot. Bonds3

About 4-ethoxy-N'-ethyl-N,N-dimethylpiperidine-1-carboximidamide;hydroiodide

4-ethoxy-N'-ethyl-N,N-dimethylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111958958) has the molecular formula C12H26IN3O and a molecular weight of 355.26 g/mol. Its IUPAC name is 4-ethoxy-N'-ethyl-N,N-dimethylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-ethoxy-N'-ethyl-N,N-dimethylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111958958
Molecular FormulaC12H26IN3O
Molecular Weight355.26 g/mol
Exact Mass355.11
IUPAC Name4-ethoxy-N'-ethyl-N,N-dimethylpiperidine-1-carboximidamide;hydroiodide
SMILESCC/N=C(\N(C)C)N1CCC(OCC)CC1.I
InChIInChI=1S/C12H25N3O.HI/c1-5-13-12(14(3)4)15-9-7-11(8-10-15)16-6-2;/h11H,5-10H2,1-4H3;1H/b13-12+;
InChIKeyPKGXBEAWJQQNTG-UEIGIMKUSA-N
XLogP2.04
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-N'-hydroxypiperidine-1-carboximidamide
CID 62481285
N'-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111959786
1-(4-ethoxypiperidin-1-yl)propan-1-one
CID 53016317
N'-[2-[cyclopropyl(methyl)amino]propyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111958906
4-ethoxy-N-ethyl-N'-[2-[2-methoxyethyl(methyl)amino]ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111959650
2-[(4-ethoxypiperidine-1-carbonyl)-methylamino]propanoic acid
CID 62639034
N-[2-(dimethylamino)-4-methylpentyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111959546
N'-[3-(dipropylamino)propyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111960246
4-(4-ethoxypiperidin-1-yl)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76993190
3-(4-ethoxypiperidin-1-yl)-2,2-dimethyl-3-oxopropanoic acid
CID 82821841
N'-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111958492
1-[(3R)-3-ethoxypyrrolidin-1-yl]ethanone
CID 57091302

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N'-ethyl-N,N-dimethylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-ethoxy-N'-ethyl-N,N-dimethylpiperidine-1-carboximidamide;hydroiodide (CID 111958958) is 4-ethoxy-N'-ethyl-N,N-dimethylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-ethoxy-N'-ethyl-N,N-dimethylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-ethoxy-N'-ethyl-N,N-dimethylpiperidine-1-carboximidamide;hydroiodide is CC/N=C(\N(C)C)N1CCC(OCC)CC1.I.
What is the InChIKey of 4-ethoxy-N'-ethyl-N,N-dimethylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is PKGXBEAWJQQNTG-UEIGIMKUSA-N. The full InChI is InChI=1S/C12H25N3O.HI/c1-5-13-12(14(3)4)15-9-7-11(8-10-15)16-6-2;/h11H,5-10H2,1-4H3;1H/b13-12+;.
What are the key properties of 4-ethoxy-N'-ethyl-N,N-dimethylpiperidine-1-carboximidamide;hydroiodide?
4-ethoxy-N'-ethyl-N,N-dimethylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 355.26 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N'-ethyl-N,N-dimethylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111958958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).