N'-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]piperidine-1-carboximidamide

C18H27ClN4O — CID 111087099

IUPACN'-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]piperidine-1-carboximidamide
SMILESN/C(=N\CC(c1ccc(Cl)cc1)N1CCOCC1)N1CCCCC1
InChIInChI=1S/C18H27ClN4O/c19-16-6-4-15(5-7-16)17(22-10-12-24-13-11-22)14-21-18(20)23-8-2-1-3-9-23/h4-7,17H,1-3,8-14H2,(H2,20,21)
InChIKeyXYUZNOGCMLVQTQ-UHFFFAOYSA-N
MW350.89 g/mol
LogP2.51
Rot. Bonds4

About N'-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]piperidine-1-carboximidamide

N'-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]piperidine-1-carboximidamide (PubChem CID 111087099) has the molecular formula C18H27ClN4O and a molecular weight of 350.89 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]piperidine-1-carboximidamide
PubChem CID111087099
Molecular FormulaC18H27ClN4O
Molecular Weight350.89 g/mol
Exact Mass350.19
IUPAC NameN'-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]piperidine-1-carboximidamide
SMILESN/C(=N\CC(c1ccc(Cl)cc1)N1CCOCC1)N1CCCCC1
InChIInChI=1S/C18H27ClN4O/c19-16-6-4-15(5-7-16)17(22-10-12-24-13-11-22)14-21-18(20)23-8-2-1-3-9-23/h4-7,17H,1-3,8-14H2,(H2,20,21)
InChIKeyXYUZNOGCMLVQTQ-UHFFFAOYSA-N
XLogP2.51
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 52.51
H-Bond Donors ≤ 51
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'-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]piperidine-1-carboximidamide;hydroiodide
CID 111098692
N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-1-carboximidamide
CID 111027067
2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-cyclohexylguanidine;hydroiodide
CID 111087032
N'-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]morpholine-4-carboximidamide
CID 111054719
3-methyl-N'-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-1-carboximidamide;hydroiodide
CID 111074772
N'-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]piperidine-1-carboximidamide;hydroiodide
CID 111027743
3-methyl-N'-(2-morpholin-4-yl-2-phenylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111060872
2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 111087077
2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-(3,4-dimethylphenyl)guanidine
CID 111087045
2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-(3,4-dimethoxyphenyl)guanidine
CID 111087065
2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]guanidine;hydroiodide
CID 110936786
2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-[2-(4-methoxyphenyl)ethyl]guanidine
CID 110926379

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]piperidine-1-carboximidamide?
The IUPAC name of N'-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]piperidine-1-carboximidamide (CID 111087099) is N'-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]piperidine-1-carboximidamide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]piperidine-1-carboximidamide?
The canonical SMILES for N'-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]piperidine-1-carboximidamide is N/C(=N\CC(c1ccc(Cl)cc1)N1CCOCC1)N1CCCCC1.
What is the InChIKey of N'-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]piperidine-1-carboximidamide?
The InChIKey is XYUZNOGCMLVQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN4O/c19-16-6-4-15(5-7-16)17(22-10-12-24-13-11-22)14-21-18(20)23-8-2-1-3-9-23/h4-7,17H,1-3,8-14H2,(H2,20,21).
What are the key properties of N'-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]piperidine-1-carboximidamide?
N'-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]piperidine-1-carboximidamide has a molecular weight of 350.89 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111087099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).