N'-(2-decoxy-2-phenylethyl)piperidine-1-carboximidamide

C24H41N3O — CID 90949805

IUPACN'-(2-decoxy-2-phenylethyl)piperidine-1-carboximidamide
SMILESCCCCCCCCCCOC(C/N=C(\N)N1CCCCC1)c1ccccc1
InChIInChI=1S/C24H41N3O/c1-2-3-4-5-6-7-8-15-20-28-23(22-16-11-9-12-17-22)21-26-24(25)27-18-13-10-14-19-27/h9,11-12,16-17,23H,2-8,10,13-15,18-21H2,1H3,(H2,25,26)
InChIKeyXXOJNUGCWOKGTG-UHFFFAOYSA-N
MW387.61 g/mol
LogP5.69
Rot. Bonds13

About N'-(2-decoxy-2-phenylethyl)piperidine-1-carboximidamide

N'-(2-decoxy-2-phenylethyl)piperidine-1-carboximidamide (PubChem CID 90949805) has the molecular formula C24H41N3O and a molecular weight of 387.61 g/mol. Its IUPAC name is N'-(2-decoxy-2-phenylethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(2-decoxy-2-phenylethyl)piperidine-1-carboximidamide
PubChem CID90949805
Molecular FormulaC24H41N3O
Molecular Weight387.61 g/mol
Exact Mass387.32
IUPAC NameN'-(2-decoxy-2-phenylethyl)piperidine-1-carboximidamide
SMILESCCCCCCCCCCOC(C/N=C(\N)N1CCCCC1)c1ccccc1
InChIInChI=1S/C24H41N3O/c1-2-3-4-5-6-7-8-15-20-28-23(22-16-11-9-12-17-22)21-26-24(25)27-18-13-10-14-19-27/h9,11-12,16-17,23H,2-8,10,13-15,18-21H2,1H3,(H2,25,26)
InChIKeyXXOJNUGCWOKGTG-UHFFFAOYSA-N
XLogP5.69
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.61
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-methoxy-2-phenylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111043639
1-dodecoxyhexylbenzene
CID 174774790
1-pentoxypropylbenzene
CID 57033372
1-pentoxybutylbenzene
CID 173061669
N'-[(3-butoxyphenyl)methyl]piperidine-1-carboximidamide
CID 111049546
nonoxy(phenyl)methanol
CID 70405769
octadecoxy(phenyl)methanol
CID 141167921
didecoxymethylbenzene
CID 150039155
(1,2-dihexoxy-2-phenylethyl)benzene
CID 14092843
2-hexoxy-N-methyl-2-phenylethanamine
CID 55036294
N'-(2-hydroxy-2-phenylpropyl)piperidine-1-carboximidamide
CID 111823571
3-hexoxy-3-phenylpropanenitrile
CID 115002769

Frequently Asked Questions

What is the IUPAC name of N'-(2-decoxy-2-phenylethyl)piperidine-1-carboximidamide?
The IUPAC name of N'-(2-decoxy-2-phenylethyl)piperidine-1-carboximidamide (CID 90949805) is N'-(2-decoxy-2-phenylethyl)piperidine-1-carboximidamide.
What is the SMILES notation for N'-(2-decoxy-2-phenylethyl)piperidine-1-carboximidamide?
The canonical SMILES for N'-(2-decoxy-2-phenylethyl)piperidine-1-carboximidamide is CCCCCCCCCCOC(C/N=C(\N)N1CCCCC1)c1ccccc1.
What is the InChIKey of N'-(2-decoxy-2-phenylethyl)piperidine-1-carboximidamide?
The InChIKey is XXOJNUGCWOKGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N3O/c1-2-3-4-5-6-7-8-15-20-28-23(22-16-11-9-12-17-22)21-26-24(25)27-18-13-10-14-19-27/h9,11-12,16-17,23H,2-8,10,13-15,18-21H2,1H3,(H2,25,26).
What are the key properties of N'-(2-decoxy-2-phenylethyl)piperidine-1-carboximidamide?
N'-(2-decoxy-2-phenylethyl)piperidine-1-carboximidamide has a molecular weight of 387.61 g/mol, XLogP of 5.69, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-decoxy-2-phenylethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 90949805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).