N'-[(2-ethoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide

C16H25N3O — CID 111044308

IUPACN'-[(2-ethoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide
SMILESCCOc1ccccc1C/N=C(\N)N1CCCC(C)C1
InChIInChI=1S/C16H25N3O/c1-3-20-15-9-5-4-8-14(15)11-18-16(17)19-10-6-7-13(2)12-19/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3,(H2,17,18)
InChIKeyDIIQISPJXLMGJH-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.63
Rot. Bonds4

About N'-[(2-ethoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide

N'-[(2-ethoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide (PubChem CID 111044308) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N'-[(2-ethoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[(2-ethoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide
PubChem CID111044308
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN'-[(2-ethoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide
SMILESCCOc1ccccc1C/N=C(\N)N1CCCC(C)C1
InChIInChI=1S/C16H25N3O/c1-3-20-15-9-5-4-8-14(15)11-18-16(17)19-10-6-7-13(2)12-19/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3,(H2,17,18)
InChIKeyDIIQISPJXLMGJH-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
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-hydroxy-3-methoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111099970
N'-[(2,3-dimethoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111045848
N'-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111053491
N'-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111036311
3-methyl-N'-[[2-(methylsulfonylmethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 86778441
3-methyl-N'-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 111038144
3-methyl-N'-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide
CID 111063224
N-[(2-ethoxyphenyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111143731
tert-butyl 4-[N'-[(2-ethoxyphenyl)methyl]carbamimidoyl]piperazine-1-carboxylate
CID 111044316
N'-[(2,4-dimethylphenyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111051628
3-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide
CID 111036940
N'-[(2-bromo-5-fluorophenyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111045773

Frequently Asked Questions

What is the IUPAC name of N'-[(2-ethoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[(2-ethoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide (CID 111044308) is N'-[(2-ethoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[(2-ethoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[(2-ethoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide is CCOc1ccccc1C/N=C(\N)N1CCCC(C)C1.
What is the InChIKey of N'-[(2-ethoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide?
The InChIKey is DIIQISPJXLMGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-20-15-9-5-4-8-14(15)11-18-16(17)19-10-6-7-13(2)12-19/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3,(H2,17,18).
What are the key properties of N'-[(2-ethoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide?
N'-[(2-ethoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide has a molecular weight of 275.40 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-ethoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 111044308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).