N'-[(4-chlorophenyl)methyl]-2-[4-(piperidin-1-ylmethyl)phenyl]ethanimidamide

C21H26ClN3 — CID 58742459

IUPACN'-[(4-chlorophenyl)methyl]-2-[4-(piperidin-1-ylmethyl)phenyl]ethanimidamide
SMILESN/C(Cc1ccc(CN2CCCCC2)cc1)=N\Cc1ccc(Cl)cc1
InChIInChI=1S/C21H26ClN3/c22-20-10-8-18(9-11-20)15-24-21(23)14-17-4-6-19(7-5-17)16-25-12-2-1-3-13-25/h4-11H,1-3,12-16H2,(H2,23,24)
InChIKeyUTKKQVMVJRIEQE-UHFFFAOYSA-N
MW355.91 g/mol
LogP4.43
Rot. Bonds6

About N'-[(4-chlorophenyl)methyl]-2-[4-(piperidin-1-ylmethyl)phenyl]ethanimidamide

N'-[(4-chlorophenyl)methyl]-2-[4-(piperidin-1-ylmethyl)phenyl]ethanimidamide (PubChem CID 58742459) has the molecular formula C21H26ClN3 and a molecular weight of 355.91 g/mol. Its IUPAC name is N'-[(4-chlorophenyl)methyl]-2-[4-(piperidin-1-ylmethyl)phenyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(4-chlorophenyl)methyl]-2-[4-(piperidin-1-ylmethyl)phenyl]ethanimidamide
PubChem CID58742459
Molecular FormulaC21H26ClN3
Molecular Weight355.91 g/mol
Exact Mass355.18
IUPAC NameN'-[(4-chlorophenyl)methyl]-2-[4-(piperidin-1-ylmethyl)phenyl]ethanimidamide
SMILESN/C(Cc1ccc(CN2CCCCC2)cc1)=N\Cc1ccc(Cl)cc1
InChIInChI=1S/C21H26ClN3/c22-20-10-8-18(9-11-20)15-24-21(23)14-17-4-6-19(7-5-17)16-25-12-2-1-3-13-25/h4-11H,1-3,12-16H2,(H2,23,24)
InChIKeyUTKKQVMVJRIEQE-UHFFFAOYSA-N
XLogP4.43
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.91
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 110893080
N'-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]azepane-1-carboximidamide;dihydrochloride
CID 142720634
2-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-1-propylguanidine;hydroiodide
CID 111036355
2-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-(2-methylpropyl)guanidine
CID 111087115
2-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111087153
1,1,3,3-tetramethyl-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111035331
1-(cyclobutylmethyl)-2-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111036389
1-butyl-2-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111036349
1-(4-ethylphenyl)-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]guanidine
CID 111035326
4-(azepan-1-ylmethyl)-N'-hydroxybenzenecarboximidamide
CID 24701931
1-cyclopropyl-1-methyl-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 110029615
1-ethyl-2-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-3-propan-2-ylguanidine
CID 111125758

Frequently Asked Questions

What is the IUPAC name of N'-[(4-chlorophenyl)methyl]-2-[4-(piperidin-1-ylmethyl)phenyl]ethanimidamide?
The IUPAC name of N'-[(4-chlorophenyl)methyl]-2-[4-(piperidin-1-ylmethyl)phenyl]ethanimidamide (CID 58742459) is N'-[(4-chlorophenyl)methyl]-2-[4-(piperidin-1-ylmethyl)phenyl]ethanimidamide.
What is the SMILES notation for N'-[(4-chlorophenyl)methyl]-2-[4-(piperidin-1-ylmethyl)phenyl]ethanimidamide?
The canonical SMILES for N'-[(4-chlorophenyl)methyl]-2-[4-(piperidin-1-ylmethyl)phenyl]ethanimidamide is N/C(Cc1ccc(CN2CCCCC2)cc1)=N\Cc1ccc(Cl)cc1.
What is the InChIKey of N'-[(4-chlorophenyl)methyl]-2-[4-(piperidin-1-ylmethyl)phenyl]ethanimidamide?
The InChIKey is UTKKQVMVJRIEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3/c22-20-10-8-18(9-11-20)15-24-21(23)14-17-4-6-19(7-5-17)16-25-12-2-1-3-13-25/h4-11H,1-3,12-16H2,(H2,23,24).
What are the key properties of N'-[(4-chlorophenyl)methyl]-2-[4-(piperidin-1-ylmethyl)phenyl]ethanimidamide?
N'-[(4-chlorophenyl)methyl]-2-[4-(piperidin-1-ylmethyl)phenyl]ethanimidamide has a molecular weight of 355.91 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-chlorophenyl)methyl]-2-[4-(piperidin-1-ylmethyl)phenyl]ethanimidamide is sourced from PubChem (CID 58742459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).