N'-benzyl-4-methoxypiperidine-1-carboximidamide

C14H21N3O — CID 130165898

IUPACN'-benzyl-4-methoxypiperidine-1-carboximidamide
SMILESCOC1CCN(/C(N)=N/Cc2ccccc2)CC1
InChIInChI=1S/C14H21N3O/c1-18-13-7-9-17(10-8-13)14(15)16-11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H2,15,16)
InChIKeyMZHNVWDDIRMQBL-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.61
Rot. Bonds3

About N'-benzyl-4-methoxypiperidine-1-carboximidamide

N'-benzyl-4-methoxypiperidine-1-carboximidamide (PubChem CID 130165898) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N'-benzyl-4-methoxypiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-benzyl-4-methoxypiperidine-1-carboximidamide
PubChem CID130165898
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN'-benzyl-4-methoxypiperidine-1-carboximidamide
SMILESCOC1CCN(/C(N)=N/Cc2ccccc2)CC1
InChIInChI=1S/C14H21N3O/c1-18-13-7-9-17(10-8-13)14(15)16-11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H2,15,16)
InChIKeyMZHNVWDDIRMQBL-UHFFFAOYSA-N
XLogP1.61
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.61
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'}

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Related Compounds

N'-benzyl-3-propan-2-ylpyrrolidine-1-carboximidamide
CID 130557165
N'-benzyl-4-hydroxy-4-methylpiperidine-1-carboximidamide
CID 130557138
N'-[[3-(methoxymethyl)phenyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920083
N'-ethyl-4-phenoxypiperidine-1-carboximidamide
CID 109426122
benzyl 4-(4-methoxypiperidin-1-yl)piperidine-1-carboxylate
CID 69040986
N'-[[4-(phenylmethoxymethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111053620
[1-[N'-[(4-hydroxyphenyl)methyl]carbamimidoyl]piperidin-4-yl] (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 25222214
(2S)-2-amino-1-(4-methoxypiperidin-1-yl)-4-phenylbutan-1-one
CID 104983889
1-(4-methoxypiperidin-1-yl)-3-phenyl-2-sulfanylpropan-1-one
CID 107022640
N'-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-4-methylpiperidine-1-carboximidamide
CID 111466070
N'-[[2-(hydroxymethyl)phenyl]methyl]-4-methylpiperidine-1-carboximidamide
CID 110920840
N-amino-4-methoxy-N'-phenylpiperidine-1-carboximidamide
CID 116513179

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-4-methoxypiperidine-1-carboximidamide?
The IUPAC name of N'-benzyl-4-methoxypiperidine-1-carboximidamide (CID 130165898) is N'-benzyl-4-methoxypiperidine-1-carboximidamide.
What is the SMILES notation for N'-benzyl-4-methoxypiperidine-1-carboximidamide?
The canonical SMILES for N'-benzyl-4-methoxypiperidine-1-carboximidamide is COC1CCN(/C(N)=N/Cc2ccccc2)CC1.
What is the InChIKey of N'-benzyl-4-methoxypiperidine-1-carboximidamide?
The InChIKey is MZHNVWDDIRMQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-18-13-7-9-17(10-8-13)14(15)16-11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H2,15,16).
What are the key properties of N'-benzyl-4-methoxypiperidine-1-carboximidamide?
N'-benzyl-4-methoxypiperidine-1-carboximidamide has a molecular weight of 247.34 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-4-methoxypiperidine-1-carboximidamide is sourced from PubChem (CID 130165898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).