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

C13H19N3 — CID 11310498

IUPACN'-(4-methylphenyl)piperidine-1-carboximidamide
SMILESCc1ccc(/N=C(\N)N2CCCCC2)cc1
InChIInChI=1S/C13H19N3/c1-11-5-7-12(8-6-11)15-13(14)16-9-3-2-4-10-16/h5-8H,2-4,9-10H2,1H3,(H2,14,15)
InChIKeyIZHNQQLJXSEBOA-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.43
Rot. Bonds1

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

N'-(4-methylphenyl)piperidine-1-carboximidamide (PubChem CID 11310498) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is N'-(4-methylphenyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(4-methylphenyl)piperidine-1-carboximidamide
PubChem CID11310498
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC NameN'-(4-methylphenyl)piperidine-1-carboximidamide
SMILESCc1ccc(/N=C(\N)N2CCCCC2)cc1
InChIInChI=1S/C13H19N3/c1-11-5-7-12(8-6-11)15-13(14)16-9-3-2-4-10-16/h5-8H,2-4,9-10H2,1H3,(H2,14,15)
InChIKeyIZHNQQLJXSEBOA-UHFFFAOYSA-N
XLogP2.43
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.43
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

(E)-3-amino-N'-(4-methylphenyl)-3-piperidin-1-ylprop-2-enimidamide
CID 89109789
N'-[(4-methylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111026011
N'-[N'-[(4-methylphenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide
CID 71513423
N'-(4-methylphenyl)-N-phenylpiperidine-1-carboximidamide
CID 138974908
N'-[N'-(4-methylsulfanylphenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 141426691
N'-[N'-(4-phenylphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
CID 123601704
N'-[N'-(4-aminophenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
CID 154058076
N-(4-iodophenyl)-N'-(4-methylphenyl)piperidine-1-carboximidamide
CID 73333355
N'-[2-(4-methylphenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111026890
N'-[N'-(4-methoxyphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
CID 123407379
N'-[N'-(4-bromophenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
CID 154012553
2-(4-methylphenyl)guanidine;hydrochloride
CID 3028500

Frequently Asked Questions

What is the IUPAC name of N'-(4-methylphenyl)piperidine-1-carboximidamide?
The IUPAC name of N'-(4-methylphenyl)piperidine-1-carboximidamide (CID 11310498) is N'-(4-methylphenyl)piperidine-1-carboximidamide.
What is the SMILES notation for N'-(4-methylphenyl)piperidine-1-carboximidamide?
The canonical SMILES for N'-(4-methylphenyl)piperidine-1-carboximidamide is Cc1ccc(/N=C(\N)N2CCCCC2)cc1.
What is the InChIKey of N'-(4-methylphenyl)piperidine-1-carboximidamide?
The InChIKey is IZHNQQLJXSEBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-11-5-7-12(8-6-11)15-13(14)16-9-3-2-4-10-16/h5-8H,2-4,9-10H2,1H3,(H2,14,15).
What are the key properties of N'-(4-methylphenyl)piperidine-1-carboximidamide?
N'-(4-methylphenyl)piperidine-1-carboximidamide has a molecular weight of 217.32 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylphenyl)piperidine-1-carboximidamide is sourced from PubChem (CID 11310498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).