N'-(3-ethoxypropyl)-N-(2-hydroxyphenyl)-2-methylpiperidine-1-carboximidamide

C18H29N3O2 — CID 134091636

IUPACN'-(3-ethoxypropyl)-N-(2-hydroxyphenyl)-2-methylpiperidine-1-carboximidamide
SMILESCCOCCC/N=C(/Nc1ccccc1O)N1CCCCC1C
InChIInChI=1S/C18H29N3O2/c1-3-23-14-8-12-19-18(21-13-7-6-9-15(21)2)20-16-10-4-5-11-17(16)22/h4-5,10-11,15,22H,3,6-9,12-14H2,1-2H3,(H,19,20)
InChIKeyGILQYSLSNJGVLA-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.46
Rot. Bonds6

About N'-(3-ethoxypropyl)-N-(2-hydroxyphenyl)-2-methylpiperidine-1-carboximidamide

N'-(3-ethoxypropyl)-N-(2-hydroxyphenyl)-2-methylpiperidine-1-carboximidamide (PubChem CID 134091636) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N'-(3-ethoxypropyl)-N-(2-hydroxyphenyl)-2-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(3-ethoxypropyl)-N-(2-hydroxyphenyl)-2-methylpiperidine-1-carboximidamide
PubChem CID134091636
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN'-(3-ethoxypropyl)-N-(2-hydroxyphenyl)-2-methylpiperidine-1-carboximidamide
SMILESCCOCCC/N=C(/Nc1ccccc1O)N1CCCCC1C
InChIInChI=1S/C18H29N3O2/c1-3-23-14-8-12-19-18(21-13-7-6-9-15(21)2)20-16-10-4-5-11-17(16)22/h4-5,10-11,15,22H,3,6-9,12-14H2,1-2H3,(H,19,20)
InChIKeyGILQYSLSNJGVLA-UHFFFAOYSA-N
XLogP3.46
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(3-ethoxypropyl)-N-(5-fluoro-2-hydroxyphenyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
CID 134111495
1-cycloheptyl-2-(3-ethoxypropyl)-3-(2-hydroxyphenyl)guanidine
CID 134091630
N'-(3-ethoxypropyl)-N-(5-fluoro-2-hydroxyphenyl)-4-methylpiperazine-1-carboximidamide
CID 134111489
N'-(3-ethoxypropyl)-N-(5-fluoro-2-hydroxyphenyl)-3,5-dimethylpiperazine-1-carboximidamide
CID 134111496
N-(5-tert-butyl-2-hydroxyphenyl)-2-methyl-N'-(thiophen-2-ylmethyl)piperidine-1-carboximidamide
CID 134088813
N'-(3-aminopropyl)-2-methyl-N-[4-(3-methylbutoxy)phenyl]piperidine-1-carboximidamide
CID 11559557
N-amino-N'-(3-ethoxypropyl)-3-phenylpyrrolidine-1-carboximidamide
CID 116513545
N-amino-N'-(3-ethoxypropyl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboximidamide
CID 104887886
N-(2-ethoxyphenyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
CID 108523411
2-methyl-N-(2-methylphenyl)piperidine-1-carboxamide
CID 6460442
N'-[[4-(aminomethyl)phenyl]methyl]-N-(2-methoxy-5-phenylphenyl)-2-methylpiperidine-1-carboximidamide
CID 134099549
N-amino-4-cyclopentyl-N'-(3-ethoxypropyl)piperazine-1-carboximidamide
CID 104884316

Frequently Asked Questions

What is the IUPAC name of N'-(3-ethoxypropyl)-N-(2-hydroxyphenyl)-2-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-(3-ethoxypropyl)-N-(2-hydroxyphenyl)-2-methylpiperidine-1-carboximidamide (CID 134091636) is N'-(3-ethoxypropyl)-N-(2-hydroxyphenyl)-2-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-(3-ethoxypropyl)-N-(2-hydroxyphenyl)-2-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-(3-ethoxypropyl)-N-(2-hydroxyphenyl)-2-methylpiperidine-1-carboximidamide is CCOCCC/N=C(/Nc1ccccc1O)N1CCCCC1C.
What is the InChIKey of N'-(3-ethoxypropyl)-N-(2-hydroxyphenyl)-2-methylpiperidine-1-carboximidamide?
The InChIKey is GILQYSLSNJGVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-3-23-14-8-12-19-18(21-13-7-6-9-15(21)2)20-16-10-4-5-11-17(16)22/h4-5,10-11,15,22H,3,6-9,12-14H2,1-2H3,(H,19,20).
What are the key properties of N'-(3-ethoxypropyl)-N-(2-hydroxyphenyl)-2-methylpiperidine-1-carboximidamide?
N'-(3-ethoxypropyl)-N-(2-hydroxyphenyl)-2-methylpiperidine-1-carboximidamide has a molecular weight of 319.45 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-ethoxypropyl)-N-(2-hydroxyphenyl)-2-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 134091636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).