N-amino-4-methoxy-N'-phenylpiperidine-1-carboximidamide

C13H20N4O — CID 116513179

IUPACN-amino-4-methoxy-N'-phenylpiperidine-1-carboximidamide
SMILESCOC1CCN(/C(=N/c2ccccc2)NN)CC1
InChIInChI=1S/C13H20N4O/c1-18-12-7-9-17(10-8-12)13(16-14)15-11-5-3-2-4-6-11/h2-6,12H,7-10,14H2,1H3,(H,15,16)
InChIKeyQWCBRCOIZQOIFK-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.25
Rot. Bonds2

About N-amino-4-methoxy-N'-phenylpiperidine-1-carboximidamide

N-amino-4-methoxy-N'-phenylpiperidine-1-carboximidamide (PubChem CID 116513179) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-amino-4-methoxy-N'-phenylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-4-methoxy-N'-phenylpiperidine-1-carboximidamide
PubChem CID116513179
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-amino-4-methoxy-N'-phenylpiperidine-1-carboximidamide
SMILESCOC1CCN(/C(=N/c2ccccc2)NN)CC1
InChIInChI=1S/C13H20N4O/c1-18-12-7-9-17(10-8-12)13(16-14)15-11-5-3-2-4-6-11/h2-6,12H,7-10,14H2,1H3,(H,15,16)
InChIKeyQWCBRCOIZQOIFK-UHFFFAOYSA-N
XLogP1.25
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-N'-phenyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboximidamide
CID 116513416
N-amino-4,4-diethyl-N'-phenylpiperidine-1-carboximidamide
CID 116515163
N-amino-N'-phenyl-4-propylpiperazine-1-carboximidamide
CID 116512806
N-amino-N'-phenyl-3-propoxypiperidine-1-carboximidamide
CID 116514824
N-amino-4-ethyl-3-methyl-N'-phenylpiperazine-1-carboximidamide
CID 116515177
N'-benzyl-4-methoxypiperidine-1-carboximidamide
CID 130165898
3,4-dimethoxy-N'-phenylpyrrolidine-1-carboximidamide
CID 103534611
2-(4-methoxypiperidine-1-carbonyl)benzoic acid
CID 43372663
(2R)-2-amino-1-(4-methoxypiperidin-1-yl)-2-phenylethanone
CID 61156075
1-(4-methoxypiperidin-1-yl)-2,2-diphenylethanone
CID 110725272
1-(4-methoxypiperidin-1-yl)-3-phenyl-2-sulfanylpropan-1-one
CID 107022640
2-hydroxy-1-(4-methoxypiperidin-1-yl)-2,2-diphenylethanone
CID 110882787

Frequently Asked Questions

What is the IUPAC name of N-amino-4-methoxy-N'-phenylpiperidine-1-carboximidamide?
The IUPAC name of N-amino-4-methoxy-N'-phenylpiperidine-1-carboximidamide (CID 116513179) is N-amino-4-methoxy-N'-phenylpiperidine-1-carboximidamide.
What is the SMILES notation for N-amino-4-methoxy-N'-phenylpiperidine-1-carboximidamide?
The canonical SMILES for N-amino-4-methoxy-N'-phenylpiperidine-1-carboximidamide is COC1CCN(/C(=N/c2ccccc2)NN)CC1.
What is the InChIKey of N-amino-4-methoxy-N'-phenylpiperidine-1-carboximidamide?
The InChIKey is QWCBRCOIZQOIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-18-12-7-9-17(10-8-12)13(16-14)15-11-5-3-2-4-6-11/h2-6,12H,7-10,14H2,1H3,(H,15,16).
What are the key properties of N-amino-4-methoxy-N'-phenylpiperidine-1-carboximidamide?
N-amino-4-methoxy-N'-phenylpiperidine-1-carboximidamide has a molecular weight of 248.33 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-4-methoxy-N'-phenylpiperidine-1-carboximidamide is sourced from PubChem (CID 116513179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).