N'-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]piperidine-1-carboximidamide

C17H28N4O — CID 111028952

IUPACN'-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]piperidine-1-carboximidamide
SMILESCOc1ccccc1C(C/N=C(\N)N1CCCCC1)N(C)C
InChIInChI=1S/C17H28N4O/c1-20(2)15(14-9-5-6-10-16(14)22-3)13-19-17(18)21-11-7-4-8-12-21/h5-6,9-10,15H,4,7-8,11-13H2,1-3H3,(H2,18,19)
InChIKeyLFDVVJWPNDZAAR-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.10
Rot. Bonds5

About N'-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]piperidine-1-carboximidamide

N'-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]piperidine-1-carboximidamide (PubChem CID 111028952) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is N'-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]piperidine-1-carboximidamide
PubChem CID111028952
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC NameN'-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]piperidine-1-carboximidamide
SMILESCOc1ccccc1C(C/N=C(\N)N1CCCCC1)N(C)C
InChIInChI=1S/C17H28N4O/c1-20(2)15(14-9-5-6-10-16(14)22-3)13-19-17(18)21-11-7-4-8-12-21/h5-6,9-10,15H,4,7-8,11-13H2,1-3H3,(H2,18,19)
InChIKeyLFDVVJWPNDZAAR-UHFFFAOYSA-N
XLogP2.10
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.10
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'-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]morpholine-4-carboximidamide
CID 124536276
N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]piperidine-1-carboximidamide
CID 111056561
N'-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111029389
N'-[2-(2-methoxyphenyl)propyl]-4-methylpiperidine-1-carboximidamide
CID 110928149
1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]guanidine
CID 111028912
2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-(4-ethylphenyl)guanidine
CID 111028906
N'-(2-methoxy-2-phenylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111043639
2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-propan-2-ylguanidine
CID 111125746
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111028923
N'-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111815483
N'-(2,2-diphenylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111031155
4-(4-fluorophenyl)-N'-[2-(2-methoxyphenyl)propyl]piperazine-1-carboximidamide;hydroiodide
CID 111097686

Frequently Asked Questions

What is the IUPAC name of N'-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]piperidine-1-carboximidamide?
The IUPAC name of N'-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]piperidine-1-carboximidamide (CID 111028952) is N'-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]piperidine-1-carboximidamide.
What is the SMILES notation for N'-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]piperidine-1-carboximidamide?
The canonical SMILES for N'-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]piperidine-1-carboximidamide is COc1ccccc1C(C/N=C(\N)N1CCCCC1)N(C)C.
What is the InChIKey of N'-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]piperidine-1-carboximidamide?
The InChIKey is LFDVVJWPNDZAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-20(2)15(14-9-5-6-10-16(14)22-3)13-19-17(18)21-11-7-4-8-12-21/h5-6,9-10,15H,4,7-8,11-13H2,1-3H3,(H2,18,19).
What are the key properties of N'-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]piperidine-1-carboximidamide?
N'-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]piperidine-1-carboximidamide has a molecular weight of 304.44 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111028952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).