4-[2-(benzhydrylideneamino)oxyethoxy]piperidine-1-carboxylic acid

C21H24N2O4 — CID 87579837

IUPAC4-[2-(benzhydrylideneamino)oxyethoxy]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(OCCON=C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H24N2O4/c24-21(25)23-13-11-19(12-14-23)26-15-16-27-22-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H,24,25)
InChIKeyABZJKBIFTRWWIE-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.61
Rot. Bonds7

About 4-[2-(benzhydrylideneamino)oxyethoxy]piperidine-1-carboxylic acid

4-[2-(benzhydrylideneamino)oxyethoxy]piperidine-1-carboxylic acid (PubChem CID 87579837) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 4-[2-(benzhydrylideneamino)oxyethoxy]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(benzhydrylideneamino)oxyethoxy]piperidine-1-carboxylic acid
PubChem CID87579837
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name4-[2-(benzhydrylideneamino)oxyethoxy]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(OCCON=C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H24N2O4/c24-21(25)23-13-11-19(12-14-23)26-15-16-27-22-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H,24,25)
InChIKeyABZJKBIFTRWWIE-UHFFFAOYSA-N
XLogP3.61
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[1-(4-methoxyphenyl)ethylideneamino]oxyethoxy]piperidine-1-carboxylic acid
CID 87578431
4-(3-oxopropoxy)piperidine-1-carboxylic acid
CID 176652743
4-(2-carboxyethoxy)piperidine-1-carboxylic acid
CID 154257989
1-[4-(2-phenoxyethoxy)piperidin-1-yl]ethanone
CID 91918409
4-phenylmethoxyazepane-1-carboxylic acid
CID 77320736
4-(4-bromobutoxy)piperidine-1-carboxylic acid
CID 22279485
4-butoxypiperidine-1-carboxylic acid
CID 69380286
3-[4-(2-hydroxyethoxy)piperidin-1-yl]-1-phenylpropan-1-one
CID 82691756
1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenoxyethanone
CID 91918267
4-[3-(1-phenylmethoxycarbonylpiperidin-4-yl)oxypropyl]piperazine-1-carboxylic acid
CID 174208820
2-methoxy-1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenylethanone
CID 90653649
2-anilino-1-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone
CID 82695740

Frequently Asked Questions

What is the IUPAC name of 4-[2-(benzhydrylideneamino)oxyethoxy]piperidine-1-carboxylic acid?
The IUPAC name of 4-[2-(benzhydrylideneamino)oxyethoxy]piperidine-1-carboxylic acid (CID 87579837) is 4-[2-(benzhydrylideneamino)oxyethoxy]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[2-(benzhydrylideneamino)oxyethoxy]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[2-(benzhydrylideneamino)oxyethoxy]piperidine-1-carboxylic acid is O=C(O)N1CCC(OCCON=C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 4-[2-(benzhydrylideneamino)oxyethoxy]piperidine-1-carboxylic acid?
The InChIKey is ABZJKBIFTRWWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c24-21(25)23-13-11-19(12-14-23)26-15-16-27-22-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H,24,25).
What are the key properties of 4-[2-(benzhydrylideneamino)oxyethoxy]piperidine-1-carboxylic acid?
4-[2-(benzhydrylideneamino)oxyethoxy]piperidine-1-carboxylic acid has a molecular weight of 368.43 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(benzhydrylideneamino)oxyethoxy]piperidine-1-carboxylic acid is sourced from PubChem (CID 87579837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).