N-[2-(2-fluorophenoxy)propyl]-N',4-dimethylpiperidine-1-carboximidamide

C17H26FN3O — CID 111502101

IUPACN-[2-(2-fluorophenoxy)propyl]-N',4-dimethylpiperidine-1-carboximidamide
SMILESC/N=C(\NCC(C)Oc1ccccc1F)N1CCC(C)CC1
InChIInChI=1S/C17H26FN3O/c1-13-8-10-21(11-9-13)17(19-3)20-12-14(2)22-16-7-5-4-6-15(16)18/h4-7,13-14H,8-12H2,1-3H3,(H,19,20)
InChIKeyHFMGCJMUJMJCMC-UHFFFAOYSA-N
MW307.41 g/mol
LogP2.90
Rot. Bonds4

About N-[2-(2-fluorophenoxy)propyl]-N',4-dimethylpiperidine-1-carboximidamide

N-[2-(2-fluorophenoxy)propyl]-N',4-dimethylpiperidine-1-carboximidamide (PubChem CID 111502101) has the molecular formula C17H26FN3O and a molecular weight of 307.41 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)propyl]-N',4-dimethylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)propyl]-N',4-dimethylpiperidine-1-carboximidamide
PubChem CID111502101
Molecular FormulaC17H26FN3O
Molecular Weight307.41 g/mol
Exact Mass307.21
IUPAC NameN-[2-(2-fluorophenoxy)propyl]-N',4-dimethylpiperidine-1-carboximidamide
SMILESC/N=C(\NCC(C)Oc1ccccc1F)N1CCC(C)CC1
InChIInChI=1S/C17H26FN3O/c1-13-8-10-21(11-9-13)17(19-3)20-12-14(2)22-16-7-5-4-6-15(16)18/h4-7,13-14H,8-12H2,1-3H3,(H,19,20)
InChIKeyHFMGCJMUJMJCMC-UHFFFAOYSA-N
XLogP2.90
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 52.90
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-(2-fluorophenoxy)butyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111752920
N-[(2-fluorophenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111212095
(3R)-N-[(2R)-2-(2-fluorophenoxy)propyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 95968686
(3S)-N-[(2R)-2-(2-fluorophenoxy)propyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 95968684
2-(2,5-dimethylpyrrolidin-1-yl)-N-[2-(2-fluorophenoxy)propyl]propanamide
CID 75423099
ethyl 1-[N-[2-(2-chlorophenoxy)propyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111499258
N-[2-(2-methoxyphenoxy)propyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109377039
1-[2-(2-fluorophenoxy)propyl]-2-methyl-3-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine
CID 111684912
N-[2-(2-methoxyphenoxy)propyl]-N'-methyl-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide
CID 111503339
1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-[2-(2-fluorophenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111685023
N-[(2-methoxyphenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111210315
1-[2-(2-fluorophenoxy)propyl]-2-methyl-3-[(1-propylpyrrolidin-3-yl)methyl]guanidine
CID 111685068

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)propyl]-N',4-dimethylpiperidine-1-carboximidamide?
The IUPAC name of N-[2-(2-fluorophenoxy)propyl]-N',4-dimethylpiperidine-1-carboximidamide (CID 111502101) is N-[2-(2-fluorophenoxy)propyl]-N',4-dimethylpiperidine-1-carboximidamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)propyl]-N',4-dimethylpiperidine-1-carboximidamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)propyl]-N',4-dimethylpiperidine-1-carboximidamide is C/N=C(\NCC(C)Oc1ccccc1F)N1CCC(C)CC1.
What is the InChIKey of N-[2-(2-fluorophenoxy)propyl]-N',4-dimethylpiperidine-1-carboximidamide?
The InChIKey is HFMGCJMUJMJCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O/c1-13-8-10-21(11-9-13)17(19-3)20-12-14(2)22-16-7-5-4-6-15(16)18/h4-7,13-14H,8-12H2,1-3H3,(H,19,20).
What are the key properties of N-[2-(2-fluorophenoxy)propyl]-N',4-dimethylpiperidine-1-carboximidamide?
N-[2-(2-fluorophenoxy)propyl]-N',4-dimethylpiperidine-1-carboximidamide has a molecular weight of 307.41 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)propyl]-N',4-dimethylpiperidine-1-carboximidamide is sourced from PubChem (CID 111502101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).