N',3-dimethyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide

C17H27N3O — CID 111143750

IUPACN',3-dimethyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide
SMILESC/N=C(\NCCOc1cccc(C)c1)N1CCCC(C)C1
InChIInChI=1S/C17H27N3O/c1-14-6-4-8-16(12-14)21-11-9-19-17(18-3)20-10-5-7-15(2)13-20/h4,6,8,12,15H,5,7,9-11,13H2,1-3H3,(H,18,19)
InChIKeyJKHQREVSGALGNX-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.68
Rot. Bonds4

About N',3-dimethyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide

N',3-dimethyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide (PubChem CID 111143750) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N',3-dimethyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN',3-dimethyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide
PubChem CID111143750
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN',3-dimethyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide
SMILESC/N=C(\NCCOc1cccc(C)c1)N1CCCC(C)C1
InChIInChI=1S/C17H27N3O/c1-14-6-4-8-16(12-14)21-11-9-19-17(18-3)20-10-5-7-15(2)13-20/h4,6,8,12,15H,5,7,9-11,13H2,1-3H3,(H,18,19)
InChIKeyJKHQREVSGALGNX-UHFFFAOYSA-N
XLogP2.68
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3-fluorophenoxy)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111144151
4-ethoxy-N'-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide
CID 111959903
N-[3-(4-methoxyphenoxy)propyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 111144532
N',3-dimethyl-N-[(3-methylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111145047
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 111144724
1-(4-methylbenzoyl)-N-[2-(3-methylphenoxy)ethyl]piperidine-3-carboxamide
CID 46422462
N-[2-(3-methoxyphenoxy)ethyl]-N'-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide
CID 109442593
N-[2-(2-methoxy-5-methylphenyl)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111144681
N-cyclopropyl-2-[3-[[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]methyl]phenoxy]acetamide
CID 111145844
N'-methyl-N-(2-phenoxyethyl)-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723460
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[2-(3-methylphenoxy)ethyl]guanidine;hydroiodide
CID 111918268
2-methyl-1-[2-(3-methylphenoxy)ethyl]-3-propan-2-ylguanidine;hydroiodide
CID 111123750

Frequently Asked Questions

What is the IUPAC name of N',3-dimethyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide?
The IUPAC name of N',3-dimethyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide (CID 111143750) is N',3-dimethyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide.
What is the SMILES notation for N',3-dimethyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide?
The canonical SMILES for N',3-dimethyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide is C/N=C(\NCCOc1cccc(C)c1)N1CCCC(C)C1.
What is the InChIKey of N',3-dimethyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide?
The InChIKey is JKHQREVSGALGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14-6-4-8-16(12-14)21-11-9-19-17(18-3)20-10-5-7-15(2)13-20/h4,6,8,12,15H,5,7,9-11,13H2,1-3H3,(H,18,19).
What are the key properties of N',3-dimethyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide?
N',3-dimethyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide has a molecular weight of 289.42 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',3-dimethyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111143750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).