ethyl 2-(4-benzylpiperidin-1-yl)-2-[(2-chlorophenyl)hydrazinylidene]acetate

C22H26ClN3O2 — CID 2313909

IUPACethyl 2-(4-benzylpiperidin-1-yl)-2-[(2-chlorophenyl)hydrazinylidene]acetate
SMILESCCOC(=O)C(=NNc1ccccc1Cl)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H26ClN3O2/c1-2-28-22(27)21(25-24-20-11-7-6-10-19(20)23)26-14-12-18(13-15-26)16-17-8-4-3-5-9-17/h3-11,18,24H,2,12-16H2,1H3
InChIKeyOBGLFWMBGKGUOH-UHFFFAOYSA-N
MW399.92 g/mol
LogP4.58
Rot. Bonds5

About ethyl 2-(4-benzylpiperidin-1-yl)-2-[(2-chlorophenyl)hydrazinylidene]acetate

ethyl 2-(4-benzylpiperidin-1-yl)-2-[(2-chlorophenyl)hydrazinylidene]acetate (PubChem CID 2313909) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is ethyl 2-(4-benzylpiperidin-1-yl)-2-[(2-chlorophenyl)hydrazinylidene]acetate.

Molecular Properties

Compound Nameethyl 2-(4-benzylpiperidin-1-yl)-2-[(2-chlorophenyl)hydrazinylidene]acetate
PubChem CID2313909
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC Nameethyl 2-(4-benzylpiperidin-1-yl)-2-[(2-chlorophenyl)hydrazinylidene]acetate
SMILESCCOC(=O)C(=NNc1ccccc1Cl)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H26ClN3O2/c1-2-28-22(27)21(25-24-20-11-7-6-10-19(20)23)26-14-12-18(13-15-26)16-17-8-4-3-5-9-17/h3-11,18,24H,2,12-16H2,1H3
InChIKeyOBGLFWMBGKGUOH-UHFFFAOYSA-N
XLogP4.58
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl (2Z)-2-(4-benzylpiperidin-1-yl)-2-[(2-chlorophenyl)hydrazinylidene]acetate
CID 6508173
ethyl (2Z)-2-[(2-chlorophenyl)hydrazinylidene]-2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]acetate
CID 7722061
ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
ethyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 113005741
ethyl (2Z)-2-[(2-chlorophenyl)hydrazinylidene]-2-(3,4-dihydro-2H-quinolin-1-yl)acetate
CID 6506652
ethyl (2Z)-2-morpholin-4-yl-2-[[2-(trifluoromethyl)phenyl]hydrazinylidene]acetate
CID 6517601
ethyl N-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]carbamate
CID 110348071
9H-fluoren-9-ylmethyl 4-benzylpiperidine-1-carboxylate
CID 102221470
ethyl (2S)-2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]amino]-3-methylbutanoate
CID 97260919
1-(4-benzylpiperidine-1-carbonyl)-N-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 108979998
2-[4-(4-benzylpiperidine-1-carbothioyl)-2-ethoxyphenoxy]-N-(2-chlorophenyl)acetamide
CID 126268953
2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-propylguanidine;hydroiodide
CID 111600377

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-benzylpiperidin-1-yl)-2-[(2-chlorophenyl)hydrazinylidene]acetate?
The IUPAC name of ethyl 2-(4-benzylpiperidin-1-yl)-2-[(2-chlorophenyl)hydrazinylidene]acetate (CID 2313909) is ethyl 2-(4-benzylpiperidin-1-yl)-2-[(2-chlorophenyl)hydrazinylidene]acetate.
What is the SMILES notation for ethyl 2-(4-benzylpiperidin-1-yl)-2-[(2-chlorophenyl)hydrazinylidene]acetate?
The canonical SMILES for ethyl 2-(4-benzylpiperidin-1-yl)-2-[(2-chlorophenyl)hydrazinylidene]acetate is CCOC(=O)C(=NNc1ccccc1Cl)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of ethyl 2-(4-benzylpiperidin-1-yl)-2-[(2-chlorophenyl)hydrazinylidene]acetate?
The InChIKey is OBGLFWMBGKGUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-2-28-22(27)21(25-24-20-11-7-6-10-19(20)23)26-14-12-18(13-15-26)16-17-8-4-3-5-9-17/h3-11,18,24H,2,12-16H2,1H3.
What are the key properties of ethyl 2-(4-benzylpiperidin-1-yl)-2-[(2-chlorophenyl)hydrazinylidene]acetate?
ethyl 2-(4-benzylpiperidin-1-yl)-2-[(2-chlorophenyl)hydrazinylidene]acetate has a molecular weight of 399.92 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-benzylpiperidin-1-yl)-2-[(2-chlorophenyl)hydrazinylidene]acetate is sourced from PubChem (CID 2313909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).