N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboximidamide

C17H27FN4 — CID 111056533

IUPACN'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/CC(c2ccc(F)cc2)N(C)C)C1
InChIInChI=1S/C17H27FN4/c1-13-5-4-10-22(12-13)17(19)20-11-16(21(2)3)14-6-8-15(18)9-7-14/h6-9,13,16H,4-5,10-12H2,1-3H3,(H2,19,20)
InChIKeyCRRFPPFGSYKTSG-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.47
Rot. Bonds4

About N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboximidamide

N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboximidamide (PubChem CID 111056533) 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]-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboximidamide
PubChem CID111056533
Molecular FormulaC17H27FN4
Molecular Weight306.43 g/mol
Exact Mass306.22
IUPAC NameN'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/CC(c2ccc(F)cc2)N(C)C)C1
InChIInChI=1S/C17H27FN4/c1-13-5-4-10-22(12-13)17(19)20-11-16(21(2)3)14-6-8-15(18)9-7-14/h6-9,13,16H,4-5,10-12H2,1-3H3,(H2,19,20)
InChIKeyCRRFPPFGSYKTSG-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'}

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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]piperidine-1-carboximidamide
CID 111056561
N'-[2-(4-fluorophenoxy)propyl]-3-methylpiperidine-1-carboximidamide
CID 111820282
N'-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpiperidine-1-carboximidamide
CID 111082627
N'-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111082626
N'-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110919741
N'-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111029389
N'-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111091582
3-methyl-N'-(2-phenylbutyl)piperidine-1-carboximidamide
CID 111032436
N'-[2-(4-fluorophenyl)sulfonylethyl]-3-methylpiperidine-1-carboximidamide
CID 86779414
N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111062038
N'-[N'-(4-fluorophenyl)carbamimidoyl]-3-methylpiperidine-1-carboximidamide
CID 78321574

Frequently Asked Questions

What is the IUPAC name of N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboximidamide (CID 111056533) is N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboximidamide is CC1CCCN(/C(N)=N/CC(c2ccc(F)cc2)N(C)C)C1.
What is the InChIKey of N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboximidamide?
The InChIKey is CRRFPPFGSYKTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN4/c1-13-5-4-10-22(12-13)17(19)20-11-16(21(2)3)14-6-8-15(18)9-7-14/h6-9,13,16H,4-5,10-12H2,1-3H3,(H2,19,20).
What are the key properties of N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboximidamide?
N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-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]-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 111056533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).