N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]piperidine-1-carboximidamide

C16H25FN4 — CID 111056561

IUPACN'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]piperidine-1-carboximidamide
SMILESCN(C)C(C/N=C(\N)N1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C16H25FN4/c1-20(2)15(13-6-8-14(17)9-7-13)12-19-16(18)21-10-4-3-5-11-21/h6-9,15H,3-5,10-12H2,1-2H3,(H2,18,19)
InChIKeyXQUUAKGHJOCETK-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.23
Rot. Bonds4

About N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]piperidine-1-carboximidamide

N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]piperidine-1-carboximidamide (PubChem CID 111056561) has the molecular formula C16H25FN4 and a molecular weight of 292.40 g/mol. Its IUPAC name is N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]piperidine-1-carboximidamide
PubChem CID111056561
Molecular FormulaC16H25FN4
Molecular Weight292.40 g/mol
Exact Mass292.21
IUPAC NameN'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]piperidine-1-carboximidamide
SMILESCN(C)C(C/N=C(\N)N1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C16H25FN4/c1-20(2)15(13-6-8-14(17)9-7-13)12-19-16(18)21-10-4-3-5-11-21/h6-9,15H,3-5,10-12H2,1-2H3,(H2,18,19)
InChIKeyXQUUAKGHJOCETK-UHFFFAOYSA-N
XLogP2.23
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.23
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'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110920341
N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboximidamide
CID 111056533
N'-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111029389
N'-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111815483
N'-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]piperidine-1-carboximidamide
CID 111028952
N'-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-4-carboximidamide
CID 111029314
N'-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111027333
N'-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110919741
2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1,1-diethylguanidine;hydroiodide
CID 111056502
2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-(3-methylbutyl)guanidine;hydroiodide
CID 111056482
N'-(2,2-diphenylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111031155
2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-ethyl-3-propan-2-ylguanidine
CID 111123891

Frequently Asked Questions

What is the IUPAC name of N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]piperidine-1-carboximidamide?
The IUPAC name of N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]piperidine-1-carboximidamide (CID 111056561) is N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]piperidine-1-carboximidamide.
What is the SMILES notation for N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]piperidine-1-carboximidamide?
The canonical SMILES for N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]piperidine-1-carboximidamide is CN(C)C(C/N=C(\N)N1CCCCC1)c1ccc(F)cc1.
What is the InChIKey of N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]piperidine-1-carboximidamide?
The InChIKey is XQUUAKGHJOCETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN4/c1-20(2)15(13-6-8-14(17)9-7-13)12-19-16(18)21-10-4-3-5-11-21/h6-9,15H,3-5,10-12H2,1-2H3,(H2,18,19).
What are the key properties of N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]piperidine-1-carboximidamide?
N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]piperidine-1-carboximidamide has a molecular weight of 292.40 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111056561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).