N'-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-1-carboximidamide

C15H20F3N3O2 — CID 111091169

IUPACN'-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-1-carboximidamide
SMILESN/C(=N\CC(O)c1ccc(OC(F)(F)F)cc1)N1CCCCC1
InChIInChI=1S/C15H20F3N3O2/c16-15(17,18)23-12-6-4-11(5-7-12)13(22)10-20-14(19)21-8-2-1-3-9-21/h4-7,13,22H,1-3,8-10H2,(H2,19,20)
InChIKeyVIWYNWRJZYWYFZ-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.42
Rot. Bonds4

About N'-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-1-carboximidamide

N'-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-1-carboximidamide (PubChem CID 111091169) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is N'-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-1-carboximidamide
PubChem CID111091169
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC NameN'-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-1-carboximidamide
SMILESN/C(=N\CC(O)c1ccc(OC(F)(F)F)cc1)N1CCCCC1
InChIInChI=1S/C15H20F3N3O2/c16-15(17,18)23-12-6-4-11(5-7-12)13(22)10-20-14(19)21-8-2-1-3-9-21/h4-7,13,22H,1-3,8-10H2,(H2,19,20)
InChIKeyVIWYNWRJZYWYFZ-UHFFFAOYSA-N
XLogP2.42
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'-[[4-(trifluoromethoxy)phenyl]methyl]carbamimidoyl]pyrrolidine-1-carboximidamide
CID 71513643
N'-[N'-[[4-(trifluoromethoxy)phenyl]methyl]carbamimidoyl]pyrrolidine-1-carboximidamide
CID 78093565
N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide;dihydrochloride
CID 142720633
N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide
CID 78092899
2-amino-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 43209057
2-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111091128
N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide;hydrochloride
CID 171158004
N'-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine-4-carboximidamide
CID 75493971
2-(2-oxo-2-piperidin-1-ylethyl)-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111058320
1-ethyl-2-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-propan-2-ylguanidine
CID 111125123
1-(2-oxo-2-piperidin-1-ylethyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]guanidine
CID 111598752
2-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-1-(3-methylphenyl)guanidine
CID 111091127

Frequently Asked Questions

What is the IUPAC name of N'-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-1-carboximidamide?
The IUPAC name of N'-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-1-carboximidamide (CID 111091169) is N'-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-1-carboximidamide.
What is the SMILES notation for N'-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-1-carboximidamide?
The canonical SMILES for N'-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-1-carboximidamide is N/C(=N\CC(O)c1ccc(OC(F)(F)F)cc1)N1CCCCC1.
What is the InChIKey of N'-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-1-carboximidamide?
The InChIKey is VIWYNWRJZYWYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O2/c16-15(17,18)23-12-6-4-11(5-7-12)13(22)10-20-14(19)21-8-2-1-3-9-21/h4-7,13,22H,1-3,8-10H2,(H2,19,20).
What are the key properties of N'-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-1-carboximidamide?
N'-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-1-carboximidamide has a molecular weight of 331.34 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111091169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).