3-methyl-N'-(2-phenylethyl)piperidine-1-carboximidamide

C15H23N3 — CID 111022901

IUPAC3-methyl-N'-(2-phenylethyl)piperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/CCc2ccccc2)C1
InChIInChI=1S/C15H23N3/c1-13-6-5-11-18(12-13)15(16)17-10-9-14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3,(H2,16,17)
InChIKeyVBHNMFRFYQLLPO-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.28
Rot. Bonds3

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

3-methyl-N'-(2-phenylethyl)piperidine-1-carboximidamide (PubChem CID 111022901) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-methyl-N'-(2-phenylethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound Name3-methyl-N'-(2-phenylethyl)piperidine-1-carboximidamide
PubChem CID111022901
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name3-methyl-N'-(2-phenylethyl)piperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/CCc2ccccc2)C1
InChIInChI=1S/C15H23N3/c1-13-6-5-11-18(12-13)15(16)17-10-9-14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3,(H2,16,17)
InChIKeyVBHNMFRFYQLLPO-UHFFFAOYSA-N
XLogP2.28
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(3,5-dimethylphenyl)ethyl]-3-methylpiperidine-1-carboximidamide
CID 111818646
N'-[2-(1-benzylimidazol-2-yl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111042145
3-methyl-N'-[2-(6-methyl-3-pyridinyl)ethyl]piperidine-1-carboximidamide
CID 111802470
3-[2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]ethyl]-N-methylbenzamide
CID 111817572
3-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide
CID 111036940
3-methyl-N'-[2-(N-methylanilino)ethyl]piperidine-1-carboximidamide
CID 111037466
N'-[3-(2-chlorophenyl)propyl]-3-methylpiperidine-1-carboximidamide
CID 111806836
3-methyl-N'-(2-phenylbutyl)piperidine-1-carboximidamide
CID 111032436
N'-[3-(1-benzylpiperidin-4-yl)oxypropyl]-3-methylpiperidine-1-carboximidamide
CID 111752022
3-methyl-N'-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide
CID 111092132
3-methyl-N'-[(1-phenylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111038838
3-methyl-N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide
CID 111023364

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-(2-phenylethyl)piperidine-1-carboximidamide?
The IUPAC name of 3-methyl-N'-(2-phenylethyl)piperidine-1-carboximidamide (CID 111022901) is 3-methyl-N'-(2-phenylethyl)piperidine-1-carboximidamide.
What is the SMILES notation for 3-methyl-N'-(2-phenylethyl)piperidine-1-carboximidamide?
The canonical SMILES for 3-methyl-N'-(2-phenylethyl)piperidine-1-carboximidamide is CC1CCCN(/C(N)=N/CCc2ccccc2)C1.
What is the InChIKey of 3-methyl-N'-(2-phenylethyl)piperidine-1-carboximidamide?
The InChIKey is VBHNMFRFYQLLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-13-6-5-11-18(12-13)15(16)17-10-9-14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3,(H2,16,17).
What are the key properties of 3-methyl-N'-(2-phenylethyl)piperidine-1-carboximidamide?
3-methyl-N'-(2-phenylethyl)piperidine-1-carboximidamide has a molecular weight of 245.37 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-(2-phenylethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 111022901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).