4-[2-(3-methoxypiperidin-1-yl)ethoxy]benzenecarboximidamide

C15H23N3O2 — CID 102958539

IUPAC4-[2-(3-methoxypiperidin-1-yl)ethoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCN2CCCC(OC)C2)cc1
InChIInChI=1S/C15H23N3O2/c1-19-14-3-2-8-18(11-14)9-10-20-13-6-4-12(5-7-13)15(16)17/h4-7,14H,2-3,8-11H2,1H3,(H3,16,17)
InChIKeyHWKGVDBAAHTSNX-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.46
Rot. Bonds6

About 4-[2-(3-methoxypiperidin-1-yl)ethoxy]benzenecarboximidamide

4-[2-(3-methoxypiperidin-1-yl)ethoxy]benzenecarboximidamide (PubChem CID 102958539) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-[2-(3-methoxypiperidin-1-yl)ethoxy]benzenecarboximidamide.

Molecular Properties

Compound Name4-[2-(3-methoxypiperidin-1-yl)ethoxy]benzenecarboximidamide
PubChem CID102958539
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-[2-(3-methoxypiperidin-1-yl)ethoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCN2CCCC(OC)C2)cc1
InChIInChI=1S/C15H23N3O2/c1-19-14-3-2-8-18(11-14)9-10-20-13-6-4-12(5-7-13)15(16)17/h4-7,14H,2-3,8-11H2,1H3,(H3,16,17)
InChIKeyHWKGVDBAAHTSNX-UHFFFAOYSA-N
XLogP1.46
TPSA71.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.46
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'}

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Related Compounds

[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]methanamine
CID 102956615
1-[2-(4-chlorophenoxy)ethyl]-3-methoxypiperidine
CID 45252246
4-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]benzenecarboximidamide
CID 61301165
4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]benzenecarboximidamide
CID 61299819
3-[2-(3-methoxypiperidin-1-yl)ethoxy]benzenecarbothioamide
CID 102958115
1-[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 102968100
4-[3-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propoxy]benzenecarboximidamide
CID 151361349
4-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethoxy]benzenecarboximidamide
CID 102781528
4-(3-methoxypyrrolidin-1-yl)benzenecarboximidamide
CID 103534085
4-[8-(4-carbamimidoylphenoxy)octoxy]benzenecarboximidamide;methane
CID 158584747
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;dihydrochloride
CID 10431865
[1-[2-(4-cyanophenoxy)ethyl]piperidin-3-yl] carbamate
CID 70421145

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methoxypiperidin-1-yl)ethoxy]benzenecarboximidamide?
The IUPAC name of 4-[2-(3-methoxypiperidin-1-yl)ethoxy]benzenecarboximidamide (CID 102958539) is 4-[2-(3-methoxypiperidin-1-yl)ethoxy]benzenecarboximidamide.
What is the SMILES notation for 4-[2-(3-methoxypiperidin-1-yl)ethoxy]benzenecarboximidamide?
The canonical SMILES for 4-[2-(3-methoxypiperidin-1-yl)ethoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(OCCN2CCCC(OC)C2)cc1.
What is the InChIKey of 4-[2-(3-methoxypiperidin-1-yl)ethoxy]benzenecarboximidamide?
The InChIKey is HWKGVDBAAHTSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-19-14-3-2-8-18(11-14)9-10-20-13-6-4-12(5-7-13)15(16)17/h4-7,14H,2-3,8-11H2,1H3,(H3,16,17).
What are the key properties of 4-[2-(3-methoxypiperidin-1-yl)ethoxy]benzenecarboximidamide?
4-[2-(3-methoxypiperidin-1-yl)ethoxy]benzenecarboximidamide has a molecular weight of 277.37 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methoxypiperidin-1-yl)ethoxy]benzenecarboximidamide is sourced from PubChem (CID 102958539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).