N-[(2-fluorophenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide

C15H22FN3 — CID 111212095

IUPACN-[(2-fluorophenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide
SMILESC/N=C(\NCc1ccccc1F)N1CCC(C)CC1
InChIInChI=1S/C15H22FN3/c1-12-7-9-19(10-8-12)15(17-2)18-11-13-5-3-4-6-14(13)16/h3-6,12H,7-11H2,1-2H3,(H,17,18)
InChIKeyUMQJQAPYOFOPEK-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.63
Rot. Bonds2

About N-[(2-fluorophenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide

N-[(2-fluorophenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide (PubChem CID 111212095) has the molecular formula C15H22FN3 and a molecular weight of 263.36 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide
PubChem CID111212095
Molecular FormulaC15H22FN3
Molecular Weight263.36 g/mol
Exact Mass263.18
IUPAC NameN-[(2-fluorophenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide
SMILESC/N=C(\NCc1ccccc1F)N1CCC(C)CC1
InChIInChI=1S/C15H22FN3/c1-12-7-9-19(10-8-12)15(17-2)18-11-13-5-3-4-6-14(13)16/h3-6,12H,7-11H2,1-2H3,(H,17,18)
InChIKeyUMQJQAPYOFOPEK-UHFFFAOYSA-N
XLogP2.63
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-fluorophenyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111143725
methyl 1-[N-[(2-fluorophenyl)methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111255138
N-[(2-methoxyphenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111210315
2-[(2-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)ethanone
CID 108993727
N',4-dimethyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111210128
1-[(2-fluorophenyl)methyl]-2-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]guanidine;hydroiodide
CID 111265638
N-[(2-fluorophenyl)methyl]-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111302794
N-[(2-ethoxy-3-pyridinyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111210891
N-[2-(2-fluorophenoxy)propyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111502101
methyl 1-[N'-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111253826
N-[(4-chlorophenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111212084
N',4-dimethyl-N-[(4-methylphenyl)methyl]piperidine-1-carboximidamide
CID 111212093

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide (CID 111212095) is N-[(2-fluorophenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide is C/N=C(\NCc1ccccc1F)N1CCC(C)CC1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide?
The InChIKey is UMQJQAPYOFOPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3/c1-12-7-9-19(10-8-12)15(17-2)18-11-13-5-3-4-6-14(13)16/h3-6,12H,7-11H2,1-2H3,(H,17,18).
What are the key properties of N-[(2-fluorophenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide?
N-[(2-fluorophenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide has a molecular weight of 263.36 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide is sourced from PubChem (CID 111212095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).