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

C15H20F3N5 — CID 71513641

IUPACN'-[N'-[[4-(trifluoromethyl)phenyl]methyl]carbamimidoyl]piperidine-1-carboximidamide
SMILESNC(=N\Cc1ccc(C(F)(F)F)cc1)/N=C(\N)N1CCCCC1
InChIInChI=1S/C15H20F3N5/c16-15(17,18)12-6-4-11(5-7-12)10-21-13(19)22-14(20)23-8-2-1-3-9-23/h4-7H,1-3,8-10H2,(H4,19,20,21,22)
InChIKeyBRNOOMZLXIAOPH-UHFFFAOYSA-N
MW327.35 g/mol
LogP2.32
Rot. Bonds2

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

N'-[N'-[[4-(trifluoromethyl)phenyl]methyl]carbamimidoyl]piperidine-1-carboximidamide (PubChem CID 71513641) has the molecular formula C15H20F3N5 and a molecular weight of 327.35 g/mol. Its IUPAC name is N'-[N'-[[4-(trifluoromethyl)phenyl]methyl]carbamimidoyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[N'-[[4-(trifluoromethyl)phenyl]methyl]carbamimidoyl]piperidine-1-carboximidamide
PubChem CID71513641
Molecular FormulaC15H20F3N5
Molecular Weight327.35 g/mol
Exact Mass327.17
IUPAC NameN'-[N'-[[4-(trifluoromethyl)phenyl]methyl]carbamimidoyl]piperidine-1-carboximidamide
SMILESNC(=N\Cc1ccc(C(F)(F)F)cc1)/N=C(\N)N1CCCCC1
InChIInChI=1S/C15H20F3N5/c16-15(17,18)12-6-4-11(5-7-12)10-21-13(19)22-14(20)23-8-2-1-3-9-23/h4-7H,1-3,8-10H2,(H4,19,20,21,22)
InChIKeyBRNOOMZLXIAOPH-UHFFFAOYSA-N
XLogP2.32
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 52.32
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

N'-[N'-[[3-(trifluoromethyl)phenyl]methyl]carbamimidoyl]piperidine-1-carboximidamide
CID 71513003
N'-[N'-[[4-(trifluoromethyl)phenyl]methyl]carbamimidoyl]-2,5-dihydropyrrole-1-carboximidamide;dihydrochloride
CID 142722385
N'-[N'-[(4-methylphenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide
CID 71513423
N'-[N'-[[4-(trifluoromethoxy)phenyl]methyl]carbamimidoyl]pyrrolidine-1-carboximidamide
CID 78093565
N'-[N'-[[4-(trifluoromethoxy)phenyl]methyl]carbamimidoyl]pyrrolidine-1-carboximidamide
CID 71513643
N'-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]azepane-1-carboximidamide;dihydrochloride
CID 142720634
N'-[N'-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]carbamimidoyl]piperidine-1-carboximidamide
CID 142720656
N'-[N'-[(4-bromophenyl)methyl]carbamimidoyl]pyrrolidine-1-carboximidamide
CID 71513636
N'-[N'-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]carbamimidoyl]piperidine-1-carboximidamide;dihydrochloride
CID 142720655
N'-[N'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide
CID 142720621
N'-[N'-[4-(trifluoromethyl)phenyl]carbamimidoyl]azetidine-1-carboximidamide;hydrochloride
CID 172724102
N'-[N'-(1,3-benzodioxol-5-ylmethyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 161285939

Frequently Asked Questions

What is the IUPAC name of N'-[N'-[[4-(trifluoromethyl)phenyl]methyl]carbamimidoyl]piperidine-1-carboximidamide?
The IUPAC name of N'-[N'-[[4-(trifluoromethyl)phenyl]methyl]carbamimidoyl]piperidine-1-carboximidamide (CID 71513641) is N'-[N'-[[4-(trifluoromethyl)phenyl]methyl]carbamimidoyl]piperidine-1-carboximidamide.
What is the SMILES notation for N'-[N'-[[4-(trifluoromethyl)phenyl]methyl]carbamimidoyl]piperidine-1-carboximidamide?
The canonical SMILES for N'-[N'-[[4-(trifluoromethyl)phenyl]methyl]carbamimidoyl]piperidine-1-carboximidamide is NC(=N\Cc1ccc(C(F)(F)F)cc1)/N=C(\N)N1CCCCC1.
What is the InChIKey of N'-[N'-[[4-(trifluoromethyl)phenyl]methyl]carbamimidoyl]piperidine-1-carboximidamide?
The InChIKey is BRNOOMZLXIAOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N5/c16-15(17,18)12-6-4-11(5-7-12)10-21-13(19)22-14(20)23-8-2-1-3-9-23/h4-7H,1-3,8-10H2,(H4,19,20,21,22).
What are the key properties of N'-[N'-[[4-(trifluoromethyl)phenyl]methyl]carbamimidoyl]piperidine-1-carboximidamide?
N'-[N'-[[4-(trifluoromethyl)phenyl]methyl]carbamimidoyl]piperidine-1-carboximidamide has a molecular weight of 327.35 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[N'-[[4-(trifluoromethyl)phenyl]methyl]carbamimidoyl]piperidine-1-carboximidamide is sourced from PubChem (CID 71513641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).