(5-chloro-2-hydrazinylphenyl)-(4-ethoxypiperidin-1-yl)methanone

C14H20ClN3O2 — CID 62237710

IUPAC(5-chloro-2-hydrazinylphenyl)-(4-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCN(C(=O)c2cc(Cl)ccc2NN)CC1
InChIInChI=1S/C14H20ClN3O2/c1-2-20-11-5-7-18(8-6-11)14(19)12-9-10(15)3-4-13(12)17-16/h3-4,9,11,17H,2,5-8,16H2,1H3
InChIKeyGKZKLNJMDIHVPI-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.27
Rot. Bonds4

About (5-chloro-2-hydrazinylphenyl)-(4-ethoxypiperidin-1-yl)methanone

(5-chloro-2-hydrazinylphenyl)-(4-ethoxypiperidin-1-yl)methanone (PubChem CID 62237710) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is (5-chloro-2-hydrazinylphenyl)-(4-ethoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-hydrazinylphenyl)-(4-ethoxypiperidin-1-yl)methanone
PubChem CID62237710
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name(5-chloro-2-hydrazinylphenyl)-(4-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCN(C(=O)c2cc(Cl)ccc2NN)CC1
InChIInChI=1S/C14H20ClN3O2/c1-2-20-11-5-7-18(8-6-11)14(19)12-9-10(15)3-4-13(12)17-16/h3-4,9,11,17H,2,5-8,16H2,1H3
InChIKeyGKZKLNJMDIHVPI-UHFFFAOYSA-N
XLogP2.27
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5-chloro-2-hydrazinylphenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82685064
(5-chloro-2-fluorophenyl)-(4-ethoxypiperidin-1-yl)methanone
CID 61150797
(5-chloro-2-hydrazinylphenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63977702
(5-chloro-2-hydrazinylphenyl)-(3-propylpyrrolidin-1-yl)methanone
CID 113418780
azepan-1-yl-(5-chloro-2-hydrazinylphenyl)methanone
CID 62248828
[5-chloro-2-(propylamino)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 62171256
ethyl 1-(2-bromo-5-chlorobenzoyl)piperidine-4-carboxylate
CID 78849118
[5-chloro-2-(ethylamino)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106741494
(5-chloro-2-hydrazinylphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114540969
(5-chloro-2-hydrazinylphenyl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 104960537
(5-chloro-2-hydrazinylphenyl)-(2-methylmorpholin-4-yl)methanone
CID 62247369
2-[1-(5-chloro-2-hydroxybenzoyl)piperidin-4-yl]oxyacetic acid
CID 63869220

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-hydrazinylphenyl)-(4-ethoxypiperidin-1-yl)methanone?
The IUPAC name of (5-chloro-2-hydrazinylphenyl)-(4-ethoxypiperidin-1-yl)methanone (CID 62237710) is (5-chloro-2-hydrazinylphenyl)-(4-ethoxypiperidin-1-yl)methanone.
What is the SMILES notation for (5-chloro-2-hydrazinylphenyl)-(4-ethoxypiperidin-1-yl)methanone?
The canonical SMILES for (5-chloro-2-hydrazinylphenyl)-(4-ethoxypiperidin-1-yl)methanone is CCOC1CCN(C(=O)c2cc(Cl)ccc2NN)CC1.
What is the InChIKey of (5-chloro-2-hydrazinylphenyl)-(4-ethoxypiperidin-1-yl)methanone?
The InChIKey is GKZKLNJMDIHVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-2-20-11-5-7-18(8-6-11)14(19)12-9-10(15)3-4-13(12)17-16/h3-4,9,11,17H,2,5-8,16H2,1H3.
What are the key properties of (5-chloro-2-hydrazinylphenyl)-(4-ethoxypiperidin-1-yl)methanone?
(5-chloro-2-hydrazinylphenyl)-(4-ethoxypiperidin-1-yl)methanone has a molecular weight of 297.79 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-hydrazinylphenyl)-(4-ethoxypiperidin-1-yl)methanone is sourced from PubChem (CID 62237710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).