N'-[[4-(2-methoxyethoxy)phenyl]methyl]piperidine-1-carboximidamide

C16H25N3O2 — CID 75511965

IUPACN'-[[4-(2-methoxyethoxy)phenyl]methyl]piperidine-1-carboximidamide
SMILESCOCCOc1ccc(C/N=C(\N)N2CCCCC2)cc1
InChIInChI=1S/C16H25N3O2/c1-20-11-12-21-15-7-5-14(6-8-15)13-18-16(17)19-9-3-2-4-10-19/h5-8H,2-4,9-13H2,1H3,(H2,17,18)
InChIKeyVYDCYWUZZLODGB-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.01
Rot. Bonds6

About N'-[[4-(2-methoxyethoxy)phenyl]methyl]piperidine-1-carboximidamide

N'-[[4-(2-methoxyethoxy)phenyl]methyl]piperidine-1-carboximidamide (PubChem CID 75511965) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N'-[[4-(2-methoxyethoxy)phenyl]methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[[4-(2-methoxyethoxy)phenyl]methyl]piperidine-1-carboximidamide
PubChem CID75511965
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN'-[[4-(2-methoxyethoxy)phenyl]methyl]piperidine-1-carboximidamide
SMILESCOCCOc1ccc(C/N=C(\N)N2CCCCC2)cc1
InChIInChI=1S/C16H25N3O2/c1-20-11-12-21-15-7-5-14(6-8-15)13-18-16(17)19-9-3-2-4-10-19/h5-8H,2-4,9-13H2,1H3,(H2,17,18)
InChIKeyVYDCYWUZZLODGB-UHFFFAOYSA-N
XLogP2.01
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111100994
4-(4-fluorophenyl)-N'-[[4-(2-methoxyethoxy)phenyl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 111061352
N-ethyl-N'-[[4-(2-methoxyethoxy)phenyl]methyl]pyrrolidine-1-carboximidamide
CID 110955690
N'-[(4-methylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111026011
N'-[(3-butoxyphenyl)methyl]piperidine-1-carboximidamide
CID 111049546
4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]-N-methylbenzamide
CID 111048452
N'-[2-(4-methylphenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111026890
N'-[4-(4-methylphenoxy)butyl]piperidine-1-carboximidamide
CID 111060823
2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-propan-2-ylguanidine;hydroiodide
CID 111061302
N'-[[2-(methoxymethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111053986
N'-[2-(4-bromophenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111089024
N'-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]azetidine-1-carboximidamide
CID 122095368

Frequently Asked Questions

What is the IUPAC name of N'-[[4-(2-methoxyethoxy)phenyl]methyl]piperidine-1-carboximidamide?
The IUPAC name of N'-[[4-(2-methoxyethoxy)phenyl]methyl]piperidine-1-carboximidamide (CID 75511965) is N'-[[4-(2-methoxyethoxy)phenyl]methyl]piperidine-1-carboximidamide.
What is the SMILES notation for N'-[[4-(2-methoxyethoxy)phenyl]methyl]piperidine-1-carboximidamide?
The canonical SMILES for N'-[[4-(2-methoxyethoxy)phenyl]methyl]piperidine-1-carboximidamide is COCCOc1ccc(C/N=C(\N)N2CCCCC2)cc1.
What is the InChIKey of N'-[[4-(2-methoxyethoxy)phenyl]methyl]piperidine-1-carboximidamide?
The InChIKey is VYDCYWUZZLODGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-20-11-12-21-15-7-5-14(6-8-15)13-18-16(17)19-9-3-2-4-10-19/h5-8H,2-4,9-13H2,1H3,(H2,17,18).
What are the key properties of N'-[[4-(2-methoxyethoxy)phenyl]methyl]piperidine-1-carboximidamide?
N'-[[4-(2-methoxyethoxy)phenyl]methyl]piperidine-1-carboximidamide has a molecular weight of 291.40 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-(2-methoxyethoxy)phenyl]methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 75511965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).