4-methyl-N'-[2-(4-methylphenoxy)propyl]piperidine-1-carboximidamide

C17H27N3O — CID 111465531

IUPAC4-methyl-N'-[2-(4-methylphenoxy)propyl]piperidine-1-carboximidamide
SMILESCc1ccc(OC(C)C/N=C(\N)N2CCC(C)CC2)cc1
InChIInChI=1S/C17H27N3O/c1-13-4-6-16(7-5-13)21-15(3)12-19-17(18)20-10-8-14(2)9-11-20/h4-7,14-15H,8-12H2,1-3H3,(H2,18,19)
InChIKeyJWGIDGJYPGQAIC-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.81
Rot. Bonds4

About 4-methyl-N'-[2-(4-methylphenoxy)propyl]piperidine-1-carboximidamide

4-methyl-N'-[2-(4-methylphenoxy)propyl]piperidine-1-carboximidamide (PubChem CID 111465531) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-methyl-N'-[2-(4-methylphenoxy)propyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-methyl-N'-[2-(4-methylphenoxy)propyl]piperidine-1-carboximidamide
PubChem CID111465531
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name4-methyl-N'-[2-(4-methylphenoxy)propyl]piperidine-1-carboximidamide
SMILESCc1ccc(OC(C)C/N=C(\N)N2CCC(C)CC2)cc1
InChIInChI=1S/C17H27N3O/c1-13-4-6-16(7-5-13)21-15(3)12-19-17(18)20-10-8-14(2)9-11-20/h4-7,14-15H,8-12H2,1-3H3,(H2,18,19)
InChIKeyJWGIDGJYPGQAIC-UHFFFAOYSA-N
XLogP2.81
TPSA50.85 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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'-[2-(4-fluorophenoxy)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111465592
N'-[2-(3-fluorophenoxy)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111465403
N'-[2-(4-fluorophenoxy)propyl]-3-methylpiperidine-1-carboximidamide
CID 111820282
N'-[2-(4-chlorophenoxy)propyl]thiomorpholine-4-carboximidamide
CID 111820434
N'-(2-phenoxypropyl)morpholine-4-carboximidamide
CID 111801506
N'-[2-(3-methylphenoxy)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111820723
2-(4-methylphenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 3876890
4-methyl-N'-(2-methyl-3-phenylmethoxypropyl)piperidine-1-carboximidamide
CID 110920562
N'-[(2S)-2-(4-chlorophenoxy)propyl]-2-methylmorpholine-4-carboximidamide
CID 120662236
N'-[2-(4-methoxyphenyl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919473
ethyl 4-[[N-ethyl-N'-[2-(4-methylphenoxy)propyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111788511
N'-[2-(2-methoxyphenyl)propyl]-4-methylpiperidine-1-carboximidamide
CID 110928149

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-[2-(4-methylphenoxy)propyl]piperidine-1-carboximidamide?
The IUPAC name of 4-methyl-N'-[2-(4-methylphenoxy)propyl]piperidine-1-carboximidamide (CID 111465531) is 4-methyl-N'-[2-(4-methylphenoxy)propyl]piperidine-1-carboximidamide.
What is the SMILES notation for 4-methyl-N'-[2-(4-methylphenoxy)propyl]piperidine-1-carboximidamide?
The canonical SMILES for 4-methyl-N'-[2-(4-methylphenoxy)propyl]piperidine-1-carboximidamide is Cc1ccc(OC(C)C/N=C(\N)N2CCC(C)CC2)cc1.
What is the InChIKey of 4-methyl-N'-[2-(4-methylphenoxy)propyl]piperidine-1-carboximidamide?
The InChIKey is JWGIDGJYPGQAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13-4-6-16(7-5-13)21-15(3)12-19-17(18)20-10-8-14(2)9-11-20/h4-7,14-15H,8-12H2,1-3H3,(H2,18,19).
What are the key properties of 4-methyl-N'-[2-(4-methylphenoxy)propyl]piperidine-1-carboximidamide?
4-methyl-N'-[2-(4-methylphenoxy)propyl]piperidine-1-carboximidamide has a molecular weight of 289.42 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-[2-(4-methylphenoxy)propyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111465531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).