acetic acid;[4-[[3-[(2-chlorophenyl)methoxy]phenoxy]methyl]piperidin-1-yl]methylidenehydrazine

C22H28ClN3O4 — CID 70094763

IUPACacetic acid;[4-[[3-[(2-chlorophenyl)methoxy]phenoxy]methyl]piperidin-1-yl]methylidenehydrazine
SMILESCC(=O)O.NN=CN1CCC(COc2cccc(OCc3ccccc3Cl)c2)CC1
InChIInChI=1S/C20H24ClN3O2.C2H4O2/c21-20-7-2-1-4-17(20)14-26-19-6-3-5-18(12-19)25-13-16-8-10-24(11-9-16)15-23-22;1-2(3)4/h1-7,12,15-16H,8-11,13-14,22H2;1H3,(H,3,4)
InChIKeyJUVLTXNPCPRYKW-UHFFFAOYSA-N
MW433.94 g/mol
LogP4.00
Rot. Bonds7

About acetic acid;[4-[[3-[(2-chlorophenyl)methoxy]phenoxy]methyl]piperidin-1-yl]methylidenehydrazine

acetic acid;[4-[[3-[(2-chlorophenyl)methoxy]phenoxy]methyl]piperidin-1-yl]methylidenehydrazine (PubChem CID 70094763) has the molecular formula C22H28ClN3O4 and a molecular weight of 433.94 g/mol. Its IUPAC name is acetic acid;[4-[[3-[(2-chlorophenyl)methoxy]phenoxy]methyl]piperidin-1-yl]methylidenehydrazine.

Molecular Properties

Compound Nameacetic acid;[4-[[3-[(2-chlorophenyl)methoxy]phenoxy]methyl]piperidin-1-yl]methylidenehydrazine
PubChem CID70094763
Molecular FormulaC22H28ClN3O4
Molecular Weight433.94 g/mol
Exact Mass433.18
IUPAC Nameacetic acid;[4-[[3-[(2-chlorophenyl)methoxy]phenoxy]methyl]piperidin-1-yl]methylidenehydrazine
SMILESCC(=O)O.NN=CN1CCC(COc2cccc(OCc3ccccc3Cl)c2)CC1
InChIInChI=1S/C20H24ClN3O2.C2H4O2/c21-20-7-2-1-4-17(20)14-26-19-6-3-5-18(12-19)25-13-16-8-10-24(11-9-16)15-23-22;1-2(3)4/h1-7,12,15-16H,8-11,13-14,22H2;1H3,(H,3,4)
InChIKeyJUVLTXNPCPRYKW-UHFFFAOYSA-N
XLogP4.00
TPSA97.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.94
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze acetic acid;[4-[[3-[(2-chlorophenyl)methoxy]phenoxy]methyl]piperidin-1-yl]methylidenehydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

acetic acid;[3-[(1-methanehydrazonoylpiperidin-4-yl)methoxy]-5-methylphenyl] 3-methylbenzenesulfonate
CID 173263746
[3-[(1-methanehydrazonoylpiperidin-4-yl)methoxy]-5-methylphenyl] 2,3-dichlorobenzenesulfonate
CID 158056251
1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-[3-[(2-chlorophenyl)methoxy]phenyl]ethanone
CID 125146233
azepan-1-yl-[3-[(2-chlorophenyl)methoxy]phenyl]methanone
CID 100749219
2-[3-[(2-chlorophenyl)methoxy]phenyl]-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119562373
1-[6-[3-[(2-chlorophenyl)methoxy]phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidin-5-yl]ethanone
CID 110529083
(E)-3-[3-[(2-chlorophenyl)methoxy]phenyl]prop-2-enehydrazide
CID 91685535
3-[(2-chlorophenyl)methoxy]aniline
CID 23010255
4-[(2-chlorophenyl)methoxy]-2-hydroxybenzoic acid
CID 91679064
3-[3-[(2-chlorophenyl)methoxy]phenyl]propanoic acid
CID 83952241
3-[(2-chlorophenyl)methoxy]-N,N-dimethylbenzamide
CID 13176467
[3-[(2-chlorophenyl)methoxy]phenyl]-(3,5-dimethylmorpholin-4-yl)methanone
CID 43889704

Frequently Asked Questions

What is the IUPAC name of acetic acid;[4-[[3-[(2-chlorophenyl)methoxy]phenoxy]methyl]piperidin-1-yl]methylidenehydrazine?
The IUPAC name of acetic acid;[4-[[3-[(2-chlorophenyl)methoxy]phenoxy]methyl]piperidin-1-yl]methylidenehydrazine (CID 70094763) is acetic acid;[4-[[3-[(2-chlorophenyl)methoxy]phenoxy]methyl]piperidin-1-yl]methylidenehydrazine.
What is the SMILES notation for acetic acid;[4-[[3-[(2-chlorophenyl)methoxy]phenoxy]methyl]piperidin-1-yl]methylidenehydrazine?
The canonical SMILES for acetic acid;[4-[[3-[(2-chlorophenyl)methoxy]phenoxy]methyl]piperidin-1-yl]methylidenehydrazine is CC(=O)O.NN=CN1CCC(COc2cccc(OCc3ccccc3Cl)c2)CC1.
What is the InChIKey of acetic acid;[4-[[3-[(2-chlorophenyl)methoxy]phenoxy]methyl]piperidin-1-yl]methylidenehydrazine?
The InChIKey is JUVLTXNPCPRYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2.C2H4O2/c21-20-7-2-1-4-17(20)14-26-19-6-3-5-18(12-19)25-13-16-8-10-24(11-9-16)15-23-22;1-2(3)4/h1-7,12,15-16H,8-11,13-14,22H2;1H3,(H,3,4).
What are the key properties of acetic acid;[4-[[3-[(2-chlorophenyl)methoxy]phenoxy]methyl]piperidin-1-yl]methylidenehydrazine?
acetic acid;[4-[[3-[(2-chlorophenyl)methoxy]phenoxy]methyl]piperidin-1-yl]methylidenehydrazine has a molecular weight of 433.94 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;[4-[[3-[(2-chlorophenyl)methoxy]phenoxy]methyl]piperidin-1-yl]methylidenehydrazine is sourced from PubChem (CID 70094763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).