N'-[3-[3-(trifluoromethyl)phenyl]butyl]piperidine-1-carboximidamide;hydroiodide

C17H25F3IN3 — CID 111822589

IUPACN'-[3-[3-(trifluoromethyl)phenyl]butyl]piperidine-1-carboximidamide;hydroiodide
SMILESCC(CC/N=C(\N)N1CCCCC1)c1cccc(C(F)(F)F)c1.I
InChIInChI=1S/C17H24F3N3.HI/c1-13(14-6-5-7-15(12-14)17(18,19)20)8-9-22-16(21)23-10-3-2-4-11-23;/h5-7,12-13H,2-4,8-11H2,1H3,(H2,21,22);1H
InChIKeyVURPBVNGLXNPSK-UHFFFAOYSA-N
MW455.31 g/mol
LogP4.62
Rot. Bonds4

About N'-[3-[3-(trifluoromethyl)phenyl]butyl]piperidine-1-carboximidamide;hydroiodide

N'-[3-[3-(trifluoromethyl)phenyl]butyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111822589) has the molecular formula C17H25F3IN3 and a molecular weight of 455.31 g/mol. Its IUPAC name is N'-[3-[3-(trifluoromethyl)phenyl]butyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[3-[3-(trifluoromethyl)phenyl]butyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111822589
Molecular FormulaC17H25F3IN3
Molecular Weight455.31 g/mol
Exact Mass455.10
IUPAC NameN'-[3-[3-(trifluoromethyl)phenyl]butyl]piperidine-1-carboximidamide;hydroiodide
SMILESCC(CC/N=C(\N)N1CCCCC1)c1cccc(C(F)(F)F)c1.I
InChIInChI=1S/C17H24F3N3.HI/c1-13(14-6-5-7-15(12-14)17(18,19)20)8-9-22-16(21)23-10-3-2-4-11-23;/h5-7,12-13H,2-4,8-11H2,1H3,(H2,21,22);1H
InChIKeyVURPBVNGLXNPSK-UHFFFAOYSA-N
XLogP4.62
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.31
LogP ≤ 54.62
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111026746
N'-[2-(3-methylphenyl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111819205
N'-[N'-[[3-(trifluoromethyl)phenyl]methyl]carbamimidoyl]piperidine-1-carboximidamide
CID 71513003
1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-[3-[3-(trifluoromethyl)phenyl]butyl]guanidine
CID 111711797
1-[3-[3-(trifluoromethyl)phenyl]butylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122004719
(3S)-1-[(3R)-3-[3-(trifluoromethyl)phenyl]butanoyl]pyrrolidine-3-carboxylic acid
CID 124693007
(3S)-1-[(3S)-3-[3-(trifluoromethyl)phenyl]butanoyl]pyrrolidine-3-carboxylic acid
CID 124688507
1-[4-(methylamino)piperidin-1-yl]-3-[3-(trifluoromethyl)phenyl]butan-1-one
CID 119560149
1-ethyl-3-(4-hydroxycyclohexyl)-2-[3-[3-(trifluoromethyl)phenyl]butyl]guanidine
CID 111978971
1-ethyl-3-(2-methoxyethyl)-2-[3-[3-(trifluoromethyl)phenyl]butyl]guanidine
CID 111544599
4-methyl-N'-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 110919533
N'-(2,2-diphenylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111031155

Frequently Asked Questions

What is the IUPAC name of N'-[3-[3-(trifluoromethyl)phenyl]butyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[3-[3-(trifluoromethyl)phenyl]butyl]piperidine-1-carboximidamide;hydroiodide (CID 111822589) is N'-[3-[3-(trifluoromethyl)phenyl]butyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[3-[3-(trifluoromethyl)phenyl]butyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[3-[3-(trifluoromethyl)phenyl]butyl]piperidine-1-carboximidamide;hydroiodide is CC(CC/N=C(\N)N1CCCCC1)c1cccc(C(F)(F)F)c1.I.
What is the InChIKey of N'-[3-[3-(trifluoromethyl)phenyl]butyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is VURPBVNGLXNPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3.HI/c1-13(14-6-5-7-15(12-14)17(18,19)20)8-9-22-16(21)23-10-3-2-4-11-23;/h5-7,12-13H,2-4,8-11H2,1H3,(H2,21,22);1H.
What are the key properties of N'-[3-[3-(trifluoromethyl)phenyl]butyl]piperidine-1-carboximidamide;hydroiodide?
N'-[3-[3-(trifluoromethyl)phenyl]butyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 455.31 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[3-(trifluoromethyl)phenyl]butyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111822589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).