N'-(2-methoxy-2-phenylethyl)piperidine-1-carboximidamide;hydroiodide

C15H24IN3O — CID 111043639

IUPACN'-(2-methoxy-2-phenylethyl)piperidine-1-carboximidamide;hydroiodide
SMILESCOC(C/N=C(\N)N1CCCCC1)c1ccccc1.I
InChIInChI=1S/C15H23N3O.HI/c1-19-14(13-8-4-2-5-9-13)12-17-15(16)18-10-6-3-7-11-18;/h2,4-5,8-9,14H,3,6-7,10-12H2,1H3,(H2,16,17);1H
InChIKeyNUOBCHYXVINNTE-UHFFFAOYSA-N
MW389.28 g/mol
LogP2.79
Rot. Bonds4

About N'-(2-methoxy-2-phenylethyl)piperidine-1-carboximidamide;hydroiodide

N'-(2-methoxy-2-phenylethyl)piperidine-1-carboximidamide;hydroiodide (PubChem CID 111043639) has the molecular formula C15H24IN3O and a molecular weight of 389.28 g/mol. Its IUPAC name is N'-(2-methoxy-2-phenylethyl)piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-(2-methoxy-2-phenylethyl)piperidine-1-carboximidamide;hydroiodide
PubChem CID111043639
Molecular FormulaC15H24IN3O
Molecular Weight389.28 g/mol
Exact Mass389.10
IUPAC NameN'-(2-methoxy-2-phenylethyl)piperidine-1-carboximidamide;hydroiodide
SMILESCOC(C/N=C(\N)N1CCCCC1)c1ccccc1.I
InChIInChI=1S/C15H23N3O.HI/c1-19-14(13-8-4-2-5-9-13)12-17-15(16)18-10-6-3-7-11-18;/h2,4-5,8-9,14H,3,6-7,10-12H2,1H3,(H2,16,17);1H
InChIKeyNUOBCHYXVINNTE-UHFFFAOYSA-N
XLogP2.79
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.28
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'-(2-methoxy-2-phenylethyl)thiomorpholine-4-carboximidamide
CID 111043624
N'-(2,2-diphenylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111031155
N'-(2-decoxy-2-phenylethyl)piperidine-1-carboximidamide
CID 90949805
N'-(3-hydroxy-2-phenylpropyl)piperidine-1-carboximidamide
CID 111799996
N'-[2-(4-fluorophenyl)-2-methoxyethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111498006
N'-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]piperidine-1-carboximidamide;hydroiodide
CID 111027743
N'-(3-phenylsulfanylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111027125
N'-[2-(3-methylphenyl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111819205
N'-(2-hydroxy-3-phenylmethoxypropyl)piperidine-1-carboximidamide;hydroiodide
CID 111058029
tert-butyl 4-[N'-(2-phenyl-2-pyrrolidin-1-ylethyl)carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111029795
N'-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]piperidine-1-carboximidamide
CID 111028952
N'-(2-methoxy-3,3-dimethylbutyl)piperidine-1-carboximidamide
CID 111757989

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxy-2-phenylethyl)piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-(2-methoxy-2-phenylethyl)piperidine-1-carboximidamide;hydroiodide (CID 111043639) is N'-(2-methoxy-2-phenylethyl)piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-(2-methoxy-2-phenylethyl)piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-(2-methoxy-2-phenylethyl)piperidine-1-carboximidamide;hydroiodide is COC(C/N=C(\N)N1CCCCC1)c1ccccc1.I.
What is the InChIKey of N'-(2-methoxy-2-phenylethyl)piperidine-1-carboximidamide;hydroiodide?
The InChIKey is NUOBCHYXVINNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O.HI/c1-19-14(13-8-4-2-5-9-13)12-17-15(16)18-10-6-3-7-11-18;/h2,4-5,8-9,14H,3,6-7,10-12H2,1H3,(H2,16,17);1H.
What are the key properties of N'-(2-methoxy-2-phenylethyl)piperidine-1-carboximidamide;hydroiodide?
N'-(2-methoxy-2-phenylethyl)piperidine-1-carboximidamide;hydroiodide has a molecular weight of 389.28 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxy-2-phenylethyl)piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111043639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).