3-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide

C16H25N3O — CID 111036940

IUPAC3-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/CCCOc2ccccc2)C1
InChIInChI=1S/C16H25N3O/c1-14-7-5-11-19(13-14)16(17)18-10-6-12-20-15-8-3-2-4-9-15/h2-4,8-9,14H,5-7,10-13H2,1H3,(H2,17,18)
InChIKeyRAQCVEXXEMDRAU-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.50
Rot. Bonds5

About 3-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide

3-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide (PubChem CID 111036940) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide.

Molecular Properties

Compound Name3-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide
PubChem CID111036940
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/CCCOc2ccccc2)C1
InChIInChI=1S/C16H25N3O/c1-14-7-5-11-19(13-14)16(17)18-10-6-12-20-15-8-3-2-4-9-15/h2-4,8-9,14H,5-7,10-13H2,1H3,(H2,17,18)
InChIKeyRAQCVEXXEMDRAU-UHFFFAOYSA-N
XLogP2.50
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.50
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

4-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide;hydroiodide
CID 110919520
N'-[2-(4-chlorophenoxy)ethyl]-3-methylpiperidine-1-carboximidamide
CID 111032344
N'-[2-(3-chlorophenoxy)ethyl]-3-methylpiperidine-1-carboximidamide
CID 111071453
3-methyl-N'-(2-phenylethyl)piperidine-1-carboximidamide
CID 111022901
N'-[3-(1-benzylpiperidin-4-yl)oxypropyl]-3-methylpiperidine-1-carboximidamide
CID 111752022
N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 91642293
N'-[2-(3,4-difluorophenoxy)ethyl]-3-methylpiperidine-1-carboximidamide
CID 111806118
N'-[3-(2-chlorophenyl)propyl]-3-methylpiperidine-1-carboximidamide
CID 111806836
3-methyl-N'-[2-(N-methylanilino)ethyl]piperidine-1-carboximidamide
CID 111037466
N'-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]-3-methylpiperidine-1-carboximidamide
CID 111810724
3-methyl-N'-[3-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide
CID 111034873
1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone
CID 40543103

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide?
The IUPAC name of 3-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide (CID 111036940) is 3-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide.
What is the SMILES notation for 3-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide?
The canonical SMILES for 3-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide is CC1CCCN(/C(N)=N/CCCOc2ccccc2)C1.
What is the InChIKey of 3-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide?
The InChIKey is RAQCVEXXEMDRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-14-7-5-11-19(13-14)16(17)18-10-6-12-20-15-8-3-2-4-9-15/h2-4,8-9,14H,5-7,10-13H2,1H3,(H2,17,18).
What are the key properties of 3-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide?
3-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide has a molecular weight of 275.40 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide is sourced from PubChem (CID 111036940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).