N-[2-(3-methoxyphenoxy)propyl]-N',3-dimethylpiperidine-1-carboximidamide

C18H29N3O2 — CID 111501931

IUPACN-[2-(3-methoxyphenoxy)propyl]-N',3-dimethylpiperidine-1-carboximidamide
SMILESC/N=C(\NCC(C)Oc1cccc(OC)c1)N1CCCC(C)C1
InChIInChI=1S/C18H29N3O2/c1-14-7-6-10-21(13-14)18(19-3)20-12-15(2)23-17-9-5-8-16(11-17)22-4/h5,8-9,11,14-15H,6-7,10,12-13H2,1-4H3,(H,19,20)
InChIKeyRYVTUPSVJJSLRA-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.77
Rot. Bonds5

About N-[2-(3-methoxyphenoxy)propyl]-N',3-dimethylpiperidine-1-carboximidamide

N-[2-(3-methoxyphenoxy)propyl]-N',3-dimethylpiperidine-1-carboximidamide (PubChem CID 111501931) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[2-(3-methoxyphenoxy)propyl]-N',3-dimethylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenoxy)propyl]-N',3-dimethylpiperidine-1-carboximidamide
PubChem CID111501931
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN-[2-(3-methoxyphenoxy)propyl]-N',3-dimethylpiperidine-1-carboximidamide
SMILESC/N=C(\NCC(C)Oc1cccc(OC)c1)N1CCCC(C)C1
InChIInChI=1S/C18H29N3O2/c1-14-7-6-10-21(13-14)18(19-3)20-12-15(2)23-17-9-5-8-16(11-17)22-4/h5,8-9,11,14-15H,6-7,10,12-13H2,1-4H3,(H,19,20)
InChIKeyRYVTUPSVJJSLRA-UHFFFAOYSA-N
XLogP2.77
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-ethyl-N'-[2-(3-methoxyphenyl)ethyl]-3-methylpiperidine-1-carboximidamide
CID 111143808
N-[2-(2-methoxyphenyl)propyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 111144622
N-[(2,4-dimethoxyphenyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111145307
N-[3-(4-methoxyphenoxy)propyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 111144532
4-methoxy-N-[2-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111143939
methyl 2-methyl-3-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]propanoate;hydroiodide
CID 111144955
3-methoxy-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzamide
CID 112995627
1-[2-(3-methoxyphenoxy)propylcarbamoyl]piperidine-4-carboxylic acid
CID 122004010
1-[(1-ethylpyrrolidin-3-yl)methyl]-3-[2-(3-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111679669
N',3-dimethyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide
CID 111143750
1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111679775
N-ethyl-N'-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-methylpiperidine-1-carboximidamide
CID 111144800

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenoxy)propyl]-N',3-dimethylpiperidine-1-carboximidamide?
The IUPAC name of N-[2-(3-methoxyphenoxy)propyl]-N',3-dimethylpiperidine-1-carboximidamide (CID 111501931) is N-[2-(3-methoxyphenoxy)propyl]-N',3-dimethylpiperidine-1-carboximidamide.
What is the SMILES notation for N-[2-(3-methoxyphenoxy)propyl]-N',3-dimethylpiperidine-1-carboximidamide?
The canonical SMILES for N-[2-(3-methoxyphenoxy)propyl]-N',3-dimethylpiperidine-1-carboximidamide is C/N=C(\NCC(C)Oc1cccc(OC)c1)N1CCCC(C)C1.
What is the InChIKey of N-[2-(3-methoxyphenoxy)propyl]-N',3-dimethylpiperidine-1-carboximidamide?
The InChIKey is RYVTUPSVJJSLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-14-7-6-10-21(13-14)18(19-3)20-12-15(2)23-17-9-5-8-16(11-17)22-4/h5,8-9,11,14-15H,6-7,10,12-13H2,1-4H3,(H,19,20).
What are the key properties of N-[2-(3-methoxyphenoxy)propyl]-N',3-dimethylpiperidine-1-carboximidamide?
N-[2-(3-methoxyphenoxy)propyl]-N',3-dimethylpiperidine-1-carboximidamide has a molecular weight of 319.45 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenoxy)propyl]-N',3-dimethylpiperidine-1-carboximidamide is sourced from PubChem (CID 111501931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).