N-(4-methylphenyl)-N'-propylpiperidine-1-carboximidamide

C16H25N3 — CID 162402578

IUPACN-(4-methylphenyl)-N'-propylpiperidine-1-carboximidamide
SMILESCCC/N=C(/Nc1ccc(C)cc1)N1CCCCC1
InChIInChI=1S/C16H25N3/c1-3-11-17-16(19-12-5-4-6-13-19)18-15-9-7-14(2)8-10-15/h7-10H,3-6,11-13H2,1-2H3,(H,17,18)
InChIKeyLYSMJFMXZXNIBZ-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.66
Rot. Bonds3

About N-(4-methylphenyl)-N'-propylpiperidine-1-carboximidamide

N-(4-methylphenyl)-N'-propylpiperidine-1-carboximidamide (PubChem CID 162402578) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-(4-methylphenyl)-N'-propylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-N'-propylpiperidine-1-carboximidamide
PubChem CID162402578
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-(4-methylphenyl)-N'-propylpiperidine-1-carboximidamide
SMILESCCC/N=C(/Nc1ccc(C)cc1)N1CCCCC1
InChIInChI=1S/C16H25N3/c1-3-11-17-16(19-12-5-4-6-13-19)18-15-9-7-14(2)8-10-15/h7-10H,3-6,11-13H2,1-2H3,(H,17,18)
InChIKeyLYSMJFMXZXNIBZ-UHFFFAOYSA-N
XLogP3.66
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.66
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-(4-iodophenyl)-N'-(4-methylphenyl)piperidine-1-carboximidamide
CID 73333355
N'-(4-methylphenyl)-N-phenylpiperidine-1-carboximidamide
CID 138974908
N'-[2-(4-ethylpiperazin-1-yl)ethyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide
CID 111057213
N'-(2-ethyl-2-hydroxybutyl)-N-phenylpiperidine-1-carboximidamide
CID 111089079
2-[[anilino(piperidin-1-yl)methylidene]amino]-N-propylacetamide;hydroiodide
CID 111032173
N-phenyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide;hydroiodide
CID 111059786
N'-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-N-phenylpiperidine-1-carboximidamide
CID 111817264
N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N-phenylpiperidine-1-carboximidamide
CID 111041325
N'-[2-(benzylsulfamoyl)ethyl]-N-phenylpiperidine-1-carboximidamide
CID 111062413
2-[[anilino(piperidin-1-yl)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 111032085
N'-benzyl-N-phenylpyrrolidine-1-carboximidamide
CID 12889972
propan-2-yl 3-[[anilino(piperidin-1-yl)methylidene]amino]propanoate
CID 111037118

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N'-propylpiperidine-1-carboximidamide?
The IUPAC name of N-(4-methylphenyl)-N'-propylpiperidine-1-carboximidamide (CID 162402578) is N-(4-methylphenyl)-N'-propylpiperidine-1-carboximidamide.
What is the SMILES notation for N-(4-methylphenyl)-N'-propylpiperidine-1-carboximidamide?
The canonical SMILES for N-(4-methylphenyl)-N'-propylpiperidine-1-carboximidamide is CCC/N=C(/Nc1ccc(C)cc1)N1CCCCC1.
What is the InChIKey of N-(4-methylphenyl)-N'-propylpiperidine-1-carboximidamide?
The InChIKey is LYSMJFMXZXNIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-3-11-17-16(19-12-5-4-6-13-19)18-15-9-7-14(2)8-10-15/h7-10H,3-6,11-13H2,1-2H3,(H,17,18).
What are the key properties of N-(4-methylphenyl)-N'-propylpiperidine-1-carboximidamide?
N-(4-methylphenyl)-N'-propylpiperidine-1-carboximidamide has a molecular weight of 259.40 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N'-propylpiperidine-1-carboximidamide is sourced from PubChem (CID 162402578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).