(E)-3-amino-N'-(4-methylphenyl)-3-piperidin-1-ylprop-2-enimidamide

C15H22N4 — CID 89109789

IUPAC(E)-3-amino-N'-(4-methylphenyl)-3-piperidin-1-ylprop-2-enimidamide
SMILESCc1ccc(/N=C(N)/C=C(\N)N2CCCCC2)cc1
InChIInChI=1S/C15H22N4/c1-12-5-7-13(8-6-12)18-14(16)11-15(17)19-9-3-2-4-10-19/h5-8,11H,2-4,9-10,17H2,1H3,(H2,16,18)/b15-11+
InChIKeyCNELTEXIPMTHNY-RVDMUPIBSA-N
MW258.37 g/mol
LogP2.27
Rot. Bonds3

About (E)-3-amino-N'-(4-methylphenyl)-3-piperidin-1-ylprop-2-enimidamide

(E)-3-amino-N'-(4-methylphenyl)-3-piperidin-1-ylprop-2-enimidamide (PubChem CID 89109789) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is (E)-3-amino-N'-(4-methylphenyl)-3-piperidin-1-ylprop-2-enimidamide.

Molecular Properties

Compound Name(E)-3-amino-N'-(4-methylphenyl)-3-piperidin-1-ylprop-2-enimidamide
PubChem CID89109789
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name(E)-3-amino-N'-(4-methylphenyl)-3-piperidin-1-ylprop-2-enimidamide
SMILESCc1ccc(/N=C(N)/C=C(\N)N2CCCCC2)cc1
InChIInChI=1S/C15H22N4/c1-12-5-7-13(8-6-12)18-14(16)11-15(17)19-9-3-2-4-10-19/h5-8,11H,2-4,9-10,17H2,1H3,(H2,16,18)/b15-11+
InChIKeyCNELTEXIPMTHNY-RVDMUPIBSA-N
XLogP2.27
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-methylphenyl)piperidine-1-carboximidamide
CID 11310498
N'-(4-methylphenyl)-N-phenylpiperidine-1-carboximidamide
CID 138974908
N-(4-iodophenyl)-N'-(4-methylphenyl)piperidine-1-carboximidamide
CID 73333355
N'-[2-(4-methylphenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111026890
2-(4-methylphenyl)guanidine;hydrochloride
CID 3028500
azane;2-(4-methylphenyl)guanidine
CID 172751004
N'-[(4-methylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111026011
N-methyl-1-(4-methylphenyl)-1-piperidin-1-ylmethanimine
CID 3049227
N'-[N'-(4-methoxyphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
CID 123407379
N'-[4-(4-methylphenoxy)butyl]piperidine-1-carboximidamide
CID 111060823
cyclopentane;1-cyclopentyl-N-(4-methylphenyl)ethanimine;iron
CID 171034940
N,N'-bis(4-methylphenyl)-1,2-dimorpholin-4-ylethane-1,2-diimine
CID 1020625

Frequently Asked Questions

What is the IUPAC name of (E)-3-amino-N'-(4-methylphenyl)-3-piperidin-1-ylprop-2-enimidamide?
The IUPAC name of (E)-3-amino-N'-(4-methylphenyl)-3-piperidin-1-ylprop-2-enimidamide (CID 89109789) is (E)-3-amino-N'-(4-methylphenyl)-3-piperidin-1-ylprop-2-enimidamide.
What is the SMILES notation for (E)-3-amino-N'-(4-methylphenyl)-3-piperidin-1-ylprop-2-enimidamide?
The canonical SMILES for (E)-3-amino-N'-(4-methylphenyl)-3-piperidin-1-ylprop-2-enimidamide is Cc1ccc(/N=C(N)/C=C(\N)N2CCCCC2)cc1.
What is the InChIKey of (E)-3-amino-N'-(4-methylphenyl)-3-piperidin-1-ylprop-2-enimidamide?
The InChIKey is CNELTEXIPMTHNY-RVDMUPIBSA-N. The full InChI is InChI=1S/C15H22N4/c1-12-5-7-13(8-6-12)18-14(16)11-15(17)19-9-3-2-4-10-19/h5-8,11H,2-4,9-10,17H2,1H3,(H2,16,18)/b15-11+.
What are the key properties of (E)-3-amino-N'-(4-methylphenyl)-3-piperidin-1-ylprop-2-enimidamide?
(E)-3-amino-N'-(4-methylphenyl)-3-piperidin-1-ylprop-2-enimidamide has a molecular weight of 258.37 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-amino-N'-(4-methylphenyl)-3-piperidin-1-ylprop-2-enimidamide is sourced from PubChem (CID 89109789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).