N'-[3-[4-(dimethylamino)phenyl]propyl]piperidine-1-carboximidamide

C17H28N4 — CID 111067892

IUPACN'-[3-[4-(dimethylamino)phenyl]propyl]piperidine-1-carboximidamide
SMILESCN(C)c1ccc(CCC/N=C(\N)N2CCCCC2)cc1
InChIInChI=1S/C17H28N4/c1-20(2)16-10-8-15(9-11-16)7-6-12-19-17(18)21-13-4-3-5-14-21/h8-11H,3-7,12-14H2,1-2H3,(H2,18,19)
InChIKeyRFFCTAXMLXBREH-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.49
Rot. Bonds5

About N'-[3-[4-(dimethylamino)phenyl]propyl]piperidine-1-carboximidamide

N'-[3-[4-(dimethylamino)phenyl]propyl]piperidine-1-carboximidamide (PubChem CID 111067892) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is N'-[3-[4-(dimethylamino)phenyl]propyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[3-[4-(dimethylamino)phenyl]propyl]piperidine-1-carboximidamide
PubChem CID111067892
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC NameN'-[3-[4-(dimethylamino)phenyl]propyl]piperidine-1-carboximidamide
SMILESCN(C)c1ccc(CCC/N=C(\N)N2CCCCC2)cc1
InChIInChI=1S/C17H28N4/c1-20(2)16-10-8-15(9-11-16)7-6-12-19-17(18)21-13-4-3-5-14-21/h8-11H,3-7,12-14H2,1-2H3,(H2,18,19)
InChIKeyRFFCTAXMLXBREH-UHFFFAOYSA-N
XLogP2.49
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'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

N'-[3-[4-(dimethylamino)phenyl]propyl]piperidine-1-carboximidamide;hydroiodide
CID 111067891
N'-[4-(4-methoxyphenyl)butyl]piperidine-1-carboximidamide;hydroiodide
CID 111975504
N'-[2-(4-chlorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111024810
N'-[3-(dimethylamino)propyl]piperidine-1-carboximidamide
CID 111023941
N'-[6-[[amino(azepan-1-yl)methylidene]amino]hexyl]azepane-1-carboximidamide
CID 110062207
N'-[2-[4-(dimethylamino)phenyl]ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111089178
N'-[3-(2-chlorophenyl)propyl]piperidine-1-carboximidamide
CID 111806874
N'-[6-[[amino(piperidin-1-yl)methylidene]amino]hexyl]piperidine-1-carboximidamide;hydroiodide
CID 110062182
N'-[3-(4-chlorophenyl)propyl]morpholine-4-carboximidamide
CID 100674114
N'-(3-pyrrolidin-1-ylpropyl)azepane-1-carboximidamide
CID 86779268
N'-[2-(6-methyl-3-pyridinyl)ethyl]azepane-1-carboximidamide
CID 75513059
N'-[3-(4-methyl-1,3-thiazol-2-yl)propyl]azepane-1-carboximidamide
CID 75495266

Frequently Asked Questions

What is the IUPAC name of N'-[3-[4-(dimethylamino)phenyl]propyl]piperidine-1-carboximidamide?
The IUPAC name of N'-[3-[4-(dimethylamino)phenyl]propyl]piperidine-1-carboximidamide (CID 111067892) is N'-[3-[4-(dimethylamino)phenyl]propyl]piperidine-1-carboximidamide.
What is the SMILES notation for N'-[3-[4-(dimethylamino)phenyl]propyl]piperidine-1-carboximidamide?
The canonical SMILES for N'-[3-[4-(dimethylamino)phenyl]propyl]piperidine-1-carboximidamide is CN(C)c1ccc(CCC/N=C(\N)N2CCCCC2)cc1.
What is the InChIKey of N'-[3-[4-(dimethylamino)phenyl]propyl]piperidine-1-carboximidamide?
The InChIKey is RFFCTAXMLXBREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-20(2)16-10-8-15(9-11-16)7-6-12-19-17(18)21-13-4-3-5-14-21/h8-11H,3-7,12-14H2,1-2H3,(H2,18,19).
What are the key properties of N'-[3-[4-(dimethylamino)phenyl]propyl]piperidine-1-carboximidamide?
N'-[3-[4-(dimethylamino)phenyl]propyl]piperidine-1-carboximidamide has a molecular weight of 288.44 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[4-(dimethylamino)phenyl]propyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111067892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).