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

C17H27FN4 — CID 110920341

IUPACN'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/CC(c2ccc(F)cc2)N(C)C)CC1
InChIInChI=1S/C17H27FN4/c1-13-8-10-22(11-9-13)17(19)20-12-16(21(2)3)14-4-6-15(18)7-5-14/h4-7,13,16H,8-12H2,1-3H3,(H2,19,20)
InChIKeyPBDZEYOQJQGFJV-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.47
Rot. Bonds4

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

N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide (PubChem CID 110920341) has the molecular formula C17H27FN4 and a molecular weight of 306.43 g/mol. Its IUPAC name is N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide
PubChem CID110920341
Molecular FormulaC17H27FN4
Molecular Weight306.43 g/mol
Exact Mass306.22
IUPAC NameN'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/CC(c2ccc(F)cc2)N(C)C)CC1
InChIInChI=1S/C17H27FN4/c1-13-8-10-22(11-9-13)17(19)20-12-16(21(2)3)14-4-6-15(18)7-5-14/h4-7,13,16H,8-12H2,1-3H3,(H2,19,20)
InChIKeyPBDZEYOQJQGFJV-UHFFFAOYSA-N
XLogP2.47
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.47
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'}

Analyze N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboximidamide
CID 111056533
N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]piperidine-1-carboximidamide
CID 111056561
N'-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110919741
N'-[2-(4-fluorophenyl)-2-methoxyethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111498006
N'-[2-(4-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919526
N'-[2-(4-fluorophenoxy)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111465592
N'-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111029389
2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(4-fluorophenyl)acetamide
CID 110919320
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
2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1,1-diethylguanidine;hydroiodide
CID 111056502
N'-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110920430

Frequently Asked Questions

What is the IUPAC name of N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide (CID 110920341) is N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide is CC1CCN(/C(N)=N/CC(c2ccc(F)cc2)N(C)C)CC1.
What is the InChIKey of N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide?
The InChIKey is PBDZEYOQJQGFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN4/c1-13-8-10-22(11-9-13)17(19)20-12-16(21(2)3)14-4-6-15(18)7-5-14/h4-7,13,16H,8-12H2,1-3H3,(H2,19,20).
What are the key properties of N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide?
N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide has a molecular weight of 306.43 g/mol, XLogP of 2.47, 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]-4-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 110920341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).