N'-[N'-[(4-fluorophenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide

C14H20FN5 — CID 71513426

IUPACN'-[N'-[(4-fluorophenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide
SMILESNC(=N\Cc1ccc(F)cc1)/N=C(\N)N1CCCCC1
InChIInChI=1S/C14H20FN5/c15-12-6-4-11(5-7-12)10-18-13(16)19-14(17)20-8-2-1-3-9-20/h4-7H,1-3,8-10H2,(H4,16,17,18,19)
InChIKeySTMQXRJUPSDJKN-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.44
Rot. Bonds2

About N'-[N'-[(4-fluorophenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide

N'-[N'-[(4-fluorophenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide (PubChem CID 71513426) has the molecular formula C14H20FN5 and a molecular weight of 277.35 g/mol. Its IUPAC name is N'-[N'-[(4-fluorophenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[N'-[(4-fluorophenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide
PubChem CID71513426
Molecular FormulaC14H20FN5
Molecular Weight277.35 g/mol
Exact Mass277.17
IUPAC NameN'-[N'-[(4-fluorophenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide
SMILESNC(=N\Cc1ccc(F)cc1)/N=C(\N)N1CCCCC1
InChIInChI=1S/C14H20FN5/c15-12-6-4-11(5-7-12)10-18-13(16)19-14(17)20-8-2-1-3-9-20/h4-7H,1-3,8-10H2,(H4,16,17,18,19)
InChIKeySTMQXRJUPSDJKN-UHFFFAOYSA-N
XLogP1.44
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.44
H-Bond Donors ≤ 52
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

4-(Phenylmethyl)-1-piperazinecarboximidamide
CID 160903
1-(Guanidino)-17-(N1-(benzyl)guanidino)-9-azaheptadecane tris(trifluoroacetate)
CID 44221519
1,2-Dibenzylguanidine
CID 33142
1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(4-phenylbutyl)-
CID 417287
2-Benzyl-1-(3-pyrrolidin-1-ylpropyl)guanidine
CID 9882679
1-(Diaminomethylidene)-2-[(3-fluorophenyl)methyl]guanidine
CID 83032501
1-[2-(3-Fluorophenyl)ethyl]-4,5-dihydroimidazol-2-amine
CID 135386427
(5S)-1-[2-(3-fluorophenyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine
CID 135386625
4-Fluorobenzylguanidine
CID 2544654
CID 450549
CID 450549
1,2-Dibenzylguanidine;hydrobromide
CID 12549981
6,6-Dimethyl-1-(2-phenylethyl)-1,3,5-triazine-2,4-diamine;hydrochloride
CID 24196215

Frequently Asked Questions

What is the IUPAC name of N'-[N'-[(4-fluorophenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide?
The IUPAC name of N'-[N'-[(4-fluorophenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide (CID 71513426) is N'-[N'-[(4-fluorophenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide.
What is the SMILES notation for N'-[N'-[(4-fluorophenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide?
The canonical SMILES for N'-[N'-[(4-fluorophenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide is NC(=N\Cc1ccc(F)cc1)/N=C(\N)N1CCCCC1.
What is the InChIKey of N'-[N'-[(4-fluorophenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide?
The InChIKey is STMQXRJUPSDJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN5/c15-12-6-4-11(5-7-12)10-18-13(16)19-14(17)20-8-2-1-3-9-20/h4-7H,1-3,8-10H2,(H4,16,17,18,19).
What are the key properties of N'-[N'-[(4-fluorophenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide?
N'-[N'-[(4-fluorophenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide has a molecular weight of 277.35 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[N'-[(4-fluorophenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide is sourced from PubChem (CID 71513426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).