N'-hydroxy-4-methyl-1-(2-phenoxyethyl)piperidine-4-carboximidamide

C15H23N3O2 — CID 107161765

IUPACN'-hydroxy-4-methyl-1-(2-phenoxyethyl)piperidine-4-carboximidamide
SMILESCC1(/C(N)=N/O)CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C15H23N3O2/c1-15(14(16)17-19)7-9-18(10-8-15)11-12-20-13-5-3-2-4-6-13/h2-6,19H,7-12H2,1H3,(H2,16,17)
InChIKeyRZLDNHARGGNJBY-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.91
Rot. Bonds5

About N'-hydroxy-4-methyl-1-(2-phenoxyethyl)piperidine-4-carboximidamide

N'-hydroxy-4-methyl-1-(2-phenoxyethyl)piperidine-4-carboximidamide (PubChem CID 107161765) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N'-hydroxy-4-methyl-1-(2-phenoxyethyl)piperidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-methyl-1-(2-phenoxyethyl)piperidine-4-carboximidamide
PubChem CID107161765
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN'-hydroxy-4-methyl-1-(2-phenoxyethyl)piperidine-4-carboximidamide
SMILESCC1(/C(N)=N/O)CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C15H23N3O2/c1-15(14(16)17-19)7-9-18(10-8-15)11-12-20-13-5-3-2-4-6-13/h2-6,19H,7-12H2,1H3,(H2,16,17)
InChIKeyRZLDNHARGGNJBY-UHFFFAOYSA-N
XLogP1.91
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-1-(2-phenoxyethyl)piperidin-4-ol
CID 95461531
N'-hydroxy-2-[4-(2-phenoxyethyl)piperazin-1-yl]propanimidamide
CID 77012516
1,4-bis(2-phenoxyethyl)-1,4-diazepane
CID 58861609
1-decyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107161754
1-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]cyclohexan-1-ol
CID 110905104
4-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzoic acid
CID 81096927
N'-hydroxy-4-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboximidamide
CID 107161850
1-(2-bromoethyl)-4-(2-phenoxyethyl)piperazine
CID 80674242
N'-hydroxy-4-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidine-4-carboximidamide
CID 107161936
1-[2-(4-hydroxyphenoxy)ethyl]-4-phenylpiperidin-4-ol
CID 23294468
1-(2-phenoxyethyl)piperidin-4-one
CID 70278679
[3-methyl-1-[2-(2-phenoxyethoxy)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120771836

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-methyl-1-(2-phenoxyethyl)piperidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-4-methyl-1-(2-phenoxyethyl)piperidine-4-carboximidamide (CID 107161765) is N'-hydroxy-4-methyl-1-(2-phenoxyethyl)piperidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-methyl-1-(2-phenoxyethyl)piperidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-4-methyl-1-(2-phenoxyethyl)piperidine-4-carboximidamide is CC1(/C(N)=N/O)CCN(CCOc2ccccc2)CC1.
What is the InChIKey of N'-hydroxy-4-methyl-1-(2-phenoxyethyl)piperidine-4-carboximidamide?
The InChIKey is RZLDNHARGGNJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-15(14(16)17-19)7-9-18(10-8-15)11-12-20-13-5-3-2-4-6-13/h2-6,19H,7-12H2,1H3,(H2,16,17).
What are the key properties of N'-hydroxy-4-methyl-1-(2-phenoxyethyl)piperidine-4-carboximidamide?
N'-hydroxy-4-methyl-1-(2-phenoxyethyl)piperidine-4-carboximidamide has a molecular weight of 277.37 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-methyl-1-(2-phenoxyethyl)piperidine-4-carboximidamide is sourced from PubChem (CID 107161765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).