N'-[2-(1,3-benzodioxol-5-yloxy)ethyl]piperidine-1-carboximidamide

C15H21N3O3 — CID 111072067

IUPACN'-[2-(1,3-benzodioxol-5-yloxy)ethyl]piperidine-1-carboximidamide
SMILESN/C(=N\CCOc1ccc2c(c1)OCO2)N1CCCCC1
InChIInChI=1S/C15H21N3O3/c16-15(18-7-2-1-3-8-18)17-6-9-19-12-4-5-13-14(10-12)21-11-20-13/h4-5,10H,1-3,6-9,11H2,(H2,16,17)
InChIKeyHXSGUGVLLVCYJP-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.59
Rot. Bonds4

About N'-[2-(1,3-benzodioxol-5-yloxy)ethyl]piperidine-1-carboximidamide

N'-[2-(1,3-benzodioxol-5-yloxy)ethyl]piperidine-1-carboximidamide (PubChem CID 111072067) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N'-[2-(1,3-benzodioxol-5-yloxy)ethyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(1,3-benzodioxol-5-yloxy)ethyl]piperidine-1-carboximidamide
PubChem CID111072067
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN'-[2-(1,3-benzodioxol-5-yloxy)ethyl]piperidine-1-carboximidamide
SMILESN/C(=N\CCOc1ccc2c(c1)OCO2)N1CCCCC1
InChIInChI=1S/C15H21N3O3/c16-15(18-7-2-1-3-8-18)17-6-9-19-12-4-5-13-14(10-12)21-11-20-13/h4-5,10H,1-3,6-9,11H2,(H2,16,17)
InChIKeyHXSGUGVLLVCYJP-UHFFFAOYSA-N
XLogP1.59
TPSA69.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(1,3-benzodioxol-5-yloxy)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111072065
N'-[2-(4-methylphenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111026890
2-(1,3-benzodioxol-5-yloxy)-1-pyrrolidin-1-ylethanone
CID 6458739
ethyl 1-[N'-[2-(1,3-benzodioxol-5-yloxy)ethyl]-N-ethylcarbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110993234
2-[2-(1,3-benzodioxol-5-yloxy)ethyl]-1-(4-methoxyphenyl)guanidine
CID 111072001
N'-[4-(4-methylphenoxy)butyl]piperidine-1-carboximidamide
CID 111060823
N'-[N'-(1,3-benzodioxol-5-ylmethyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 161285939
2-[2-(1,3-benzodioxol-5-yloxy)ethyl]-1-(3-methylphenyl)guanidine
CID 111071999
2-[2-(1,3-benzodioxol-5-yloxy)ethyl]-1-(3-ethylphenyl)guanidine
CID 111072037
N'-[2-(3,4-difluorophenoxy)ethyl]-3-methylpiperidine-1-carboximidamide
CID 111806118
N'-[2-(3,5-dimethylphenoxy)ethyl]morpholine-4-carboximidamide
CID 111078515
N'-[2-(2-methylphenoxy)ethyl]piperidine-1-carboximidamide
CID 111076365

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1,3-benzodioxol-5-yloxy)ethyl]piperidine-1-carboximidamide?
The IUPAC name of N'-[2-(1,3-benzodioxol-5-yloxy)ethyl]piperidine-1-carboximidamide (CID 111072067) is N'-[2-(1,3-benzodioxol-5-yloxy)ethyl]piperidine-1-carboximidamide.
What is the SMILES notation for N'-[2-(1,3-benzodioxol-5-yloxy)ethyl]piperidine-1-carboximidamide?
The canonical SMILES for N'-[2-(1,3-benzodioxol-5-yloxy)ethyl]piperidine-1-carboximidamide is N/C(=N\CCOc1ccc2c(c1)OCO2)N1CCCCC1.
What is the InChIKey of N'-[2-(1,3-benzodioxol-5-yloxy)ethyl]piperidine-1-carboximidamide?
The InChIKey is HXSGUGVLLVCYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c16-15(18-7-2-1-3-8-18)17-6-9-19-12-4-5-13-14(10-12)21-11-20-13/h4-5,10H,1-3,6-9,11H2,(H2,16,17).
What are the key properties of N'-[2-(1,3-benzodioxol-5-yloxy)ethyl]piperidine-1-carboximidamide?
N'-[2-(1,3-benzodioxol-5-yloxy)ethyl]piperidine-1-carboximidamide has a molecular weight of 291.35 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1,3-benzodioxol-5-yloxy)ethyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111072067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).