N'-[2-(4-methoxyphenyl)ethyl]-4-methylpiperidine-1-carboximidamide

C16H25N3O — CID 110919473

IUPACN'-[2-(4-methoxyphenyl)ethyl]-4-methylpiperidine-1-carboximidamide
SMILESCOc1ccc(CC/N=C(\N)N2CCC(C)CC2)cc1
InChIInChI=1S/C16H25N3O/c1-13-8-11-19(12-9-13)16(17)18-10-7-14-3-5-15(20-2)6-4-14/h3-6,13H,7-12H2,1-2H3,(H2,17,18)
InChIKeyOMGSXFJIDFVWRK-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.28
Rot. Bonds4

About N'-[2-(4-methoxyphenyl)ethyl]-4-methylpiperidine-1-carboximidamide

N'-[2-(4-methoxyphenyl)ethyl]-4-methylpiperidine-1-carboximidamide (PubChem CID 110919473) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N'-[2-(4-methoxyphenyl)ethyl]-4-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(4-methoxyphenyl)ethyl]-4-methylpiperidine-1-carboximidamide
PubChem CID110919473
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN'-[2-(4-methoxyphenyl)ethyl]-4-methylpiperidine-1-carboximidamide
SMILESCOc1ccc(CC/N=C(\N)N2CCC(C)CC2)cc1
InChIInChI=1S/C16H25N3O/c1-13-8-11-19(12-9-13)16(17)18-10-7-14-3-5-15(20-2)6-4-14/h3-6,13H,7-12H2,1-2H3,(H2,17,18)
InChIKeyOMGSXFJIDFVWRK-UHFFFAOYSA-N
XLogP2.28
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.28
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'-[2-(4-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919526
N'-[3-[(4-methoxyphenyl)methoxy]propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110935415
N'-[3-(3,4-dimethoxyphenyl)propyl]-4-methylpiperidine-1-carboximidamide
CID 110921085
4-(4-fluorophenyl)-N'-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111024115
N'-[2-(3,5-difluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920788
N'-[4-(4-methoxyphenyl)butyl]piperidine-1-carboximidamide;hydroiodide
CID 111975504
N'-[2-(3-hydroxyphenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110935123
N'-[2-(4-chlorophenoxy)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110920656
N'-[2-(5-bromothiophen-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110921015
N'-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-4-methylpiperidine-1-carboximidamide
CID 110920712
2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 668771
1-cyclopropyl-2-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 75418892

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methoxyphenyl)ethyl]-4-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[2-(4-methoxyphenyl)ethyl]-4-methylpiperidine-1-carboximidamide (CID 110919473) is N'-[2-(4-methoxyphenyl)ethyl]-4-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[2-(4-methoxyphenyl)ethyl]-4-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[2-(4-methoxyphenyl)ethyl]-4-methylpiperidine-1-carboximidamide is COc1ccc(CC/N=C(\N)N2CCC(C)CC2)cc1.
What is the InChIKey of N'-[2-(4-methoxyphenyl)ethyl]-4-methylpiperidine-1-carboximidamide?
The InChIKey is OMGSXFJIDFVWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13-8-11-19(12-9-13)16(17)18-10-7-14-3-5-15(20-2)6-4-14/h3-6,13H,7-12H2,1-2H3,(H2,17,18).
What are the key properties of N'-[2-(4-methoxyphenyl)ethyl]-4-methylpiperidine-1-carboximidamide?
N'-[2-(4-methoxyphenyl)ethyl]-4-methylpiperidine-1-carboximidamide has a molecular weight of 275.40 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methoxyphenyl)ethyl]-4-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 110919473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).