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

C17H27N3 — CID 111032436

IUPAC3-methyl-N'-(2-phenylbutyl)piperidine-1-carboximidamide
SMILESCCC(C/N=C(\N)N1CCCC(C)C1)c1ccccc1
InChIInChI=1S/C17H27N3/c1-3-15(16-9-5-4-6-10-16)12-19-17(18)20-11-7-8-14(2)13-20/h4-6,9-10,14-15H,3,7-8,11-13H2,1-2H3,(H2,18,19)
InChIKeyZNBICWXQTCAJGV-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.23
Rot. Bonds4

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

3-methyl-N'-(2-phenylbutyl)piperidine-1-carboximidamide (PubChem CID 111032436) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 3-methyl-N'-(2-phenylbutyl)piperidine-1-carboximidamide.

Molecular Properties

Compound Name3-methyl-N'-(2-phenylbutyl)piperidine-1-carboximidamide
PubChem CID111032436
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name3-methyl-N'-(2-phenylbutyl)piperidine-1-carboximidamide
SMILESCCC(C/N=C(\N)N1CCCC(C)C1)c1ccccc1
InChIInChI=1S/C17H27N3/c1-3-15(16-9-5-4-6-10-16)12-19-17(18)20-11-7-8-14(2)13-20/h4-6,9-10,14-15H,3,7-8,11-13H2,1-2H3,(H2,18,19)
InChIKeyZNBICWXQTCAJGV-UHFFFAOYSA-N
XLogP3.23
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.23
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

3-methyl-N'-(2-morpholin-4-yl-2-phenylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111060872
3-methyl-N'-(2-phenylethyl)piperidine-1-carboximidamide
CID 111022901
3-methyl-N'-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111099903
3-methyl-N'-(3-methyl-2-pyridin-3-ylbutyl)piperidine-1-carboximidamide;hydroiodide
CID 111911277
N'-(3-hydroxy-2-phenylpropyl)piperidine-1-carboximidamide
CID 111799996
N'-(3-hydroxy-2-methylpropyl)-3-methylpiperidine-1-carboximidamide
CID 111076526
3-methyl-N'-[(1-phenylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111038838
3-methyl-N'-[2-(N-methylanilino)ethyl]piperidine-1-carboximidamide
CID 111037466
3-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide
CID 111036940
N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboximidamide
CID 111056533
3-methyl-N'-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111820137
N'-[(2-ethoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111044308

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-(2-phenylbutyl)piperidine-1-carboximidamide?
The IUPAC name of 3-methyl-N'-(2-phenylbutyl)piperidine-1-carboximidamide (CID 111032436) is 3-methyl-N'-(2-phenylbutyl)piperidine-1-carboximidamide.
What is the SMILES notation for 3-methyl-N'-(2-phenylbutyl)piperidine-1-carboximidamide?
The canonical SMILES for 3-methyl-N'-(2-phenylbutyl)piperidine-1-carboximidamide is CCC(C/N=C(\N)N1CCCC(C)C1)c1ccccc1.
What is the InChIKey of 3-methyl-N'-(2-phenylbutyl)piperidine-1-carboximidamide?
The InChIKey is ZNBICWXQTCAJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-3-15(16-9-5-4-6-10-16)12-19-17(18)20-11-7-8-14(2)13-20/h4-6,9-10,14-15H,3,7-8,11-13H2,1-2H3,(H2,18,19).
What are the key properties of 3-methyl-N'-(2-phenylbutyl)piperidine-1-carboximidamide?
3-methyl-N'-(2-phenylbutyl)piperidine-1-carboximidamide has a molecular weight of 273.42 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-(2-phenylbutyl)piperidine-1-carboximidamide is sourced from PubChem (CID 111032436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).