4-methyl-N'-(2-methyl-3-phenylmethoxypropyl)piperidine-1-carboximidamide

C18H29N3O — CID 110920562

IUPAC4-methyl-N'-(2-methyl-3-phenylmethoxypropyl)piperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/CC(C)COCc2ccccc2)CC1
InChIInChI=1S/C18H29N3O/c1-15-8-10-21(11-9-15)18(19)20-12-16(2)13-22-14-17-6-4-3-5-7-17/h3-7,15-16H,8-14H2,1-2H3,(H2,19,20)
InChIKeyPAOFHUGVDDIZNE-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.89
Rot. Bonds6

About 4-methyl-N'-(2-methyl-3-phenylmethoxypropyl)piperidine-1-carboximidamide

4-methyl-N'-(2-methyl-3-phenylmethoxypropyl)piperidine-1-carboximidamide (PubChem CID 110920562) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 4-methyl-N'-(2-methyl-3-phenylmethoxypropyl)piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-methyl-N'-(2-methyl-3-phenylmethoxypropyl)piperidine-1-carboximidamide
PubChem CID110920562
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name4-methyl-N'-(2-methyl-3-phenylmethoxypropyl)piperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/CC(C)COCc2ccccc2)CC1
InChIInChI=1S/C18H29N3O/c1-15-8-10-21(11-9-15)18(19)20-12-16(2)13-22-14-17-6-4-3-5-7-17/h3-7,15-16H,8-14H2,1-2H3,(H2,19,20)
InChIKeyPAOFHUGVDDIZNE-UHFFFAOYSA-N
XLogP2.89
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.89
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-hydroxy-3-phenylmethoxypropyl)piperidine-1-carboximidamide
CID 111058030
N'-(2-hydroxy-3-phenylmethoxypropyl)piperidine-1-carboximidamide;hydroiodide
CID 111058029
1-(cyclobutylmethyl)-2-(2-methyl-3-phenylmethoxypropyl)guanidine
CID 111081895
N'-[2-(2-methoxyphenyl)propyl]-4-methylpiperidine-1-carboximidamide
CID 110928149
(3R)-N-ethyl-3-hydroxy-N'-(2-methyl-3-phenylmethoxypropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111550863
N'-[2-(3-hydroxyphenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110935123
N'-[[3-(methoxymethyl)phenyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920083
4-methyl-N'-[2-(4-methylphenoxy)propyl]piperidine-1-carboximidamide
CID 111465531
1-(4-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 2834350
N'-[2-(4-fluorophenoxy)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111465592
N'-[2-(4-methoxyphenyl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919473
N'-(2-benzylsulfinylethyl)-4-methylpiperidine-1-carboximidamide
CID 111424439

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-(2-methyl-3-phenylmethoxypropyl)piperidine-1-carboximidamide?
The IUPAC name of 4-methyl-N'-(2-methyl-3-phenylmethoxypropyl)piperidine-1-carboximidamide (CID 110920562) is 4-methyl-N'-(2-methyl-3-phenylmethoxypropyl)piperidine-1-carboximidamide.
What is the SMILES notation for 4-methyl-N'-(2-methyl-3-phenylmethoxypropyl)piperidine-1-carboximidamide?
The canonical SMILES for 4-methyl-N'-(2-methyl-3-phenylmethoxypropyl)piperidine-1-carboximidamide is CC1CCN(/C(N)=N/CC(C)COCc2ccccc2)CC1.
What is the InChIKey of 4-methyl-N'-(2-methyl-3-phenylmethoxypropyl)piperidine-1-carboximidamide?
The InChIKey is PAOFHUGVDDIZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-15-8-10-21(11-9-15)18(19)20-12-16(2)13-22-14-17-6-4-3-5-7-17/h3-7,15-16H,8-14H2,1-2H3,(H2,19,20).
What are the key properties of 4-methyl-N'-(2-methyl-3-phenylmethoxypropyl)piperidine-1-carboximidamide?
4-methyl-N'-(2-methyl-3-phenylmethoxypropyl)piperidine-1-carboximidamide has a molecular weight of 303.45 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-(2-methyl-3-phenylmethoxypropyl)piperidine-1-carboximidamide is sourced from PubChem (CID 110920562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).