ethyl 4-[(benzhydrylideneamino)methyl]piperidine-4-carboxylate

C22H26N2O2 — CID 59322287

IUPACethyl 4-[(benzhydrylideneamino)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1(CN=C(c2ccccc2)c2ccccc2)CCNCC1
InChIInChI=1S/C22H26N2O2/c1-2-26-21(25)22(13-15-23-16-14-22)17-24-20(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,23H,2,13-17H2,1H3
InChIKeyCYINIZARHXYBGM-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.46
Rot. Bonds6

About ethyl 4-[(benzhydrylideneamino)methyl]piperidine-4-carboxylate

ethyl 4-[(benzhydrylideneamino)methyl]piperidine-4-carboxylate (PubChem CID 59322287) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is ethyl 4-[(benzhydrylideneamino)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(benzhydrylideneamino)methyl]piperidine-4-carboxylate
PubChem CID59322287
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Nameethyl 4-[(benzhydrylideneamino)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1(CN=C(c2ccccc2)c2ccccc2)CCNCC1
InChIInChI=1S/C22H26N2O2/c1-2-26-21(25)22(13-15-23-16-14-22)17-24-20(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,23H,2,13-17H2,1H3
InChIKeyCYINIZARHXYBGM-UHFFFAOYSA-N
XLogP3.46
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-benzylcyclopropane-1-carboxylate
CID 12619318
benzyl 3-ethylpyrrolidine-3-carboxylate
CID 63145292
ethyl (3S)-3-benzylpiperidine-3-carboxylate
CID 10800527
ethyl 4-(2-methoxyethyl)piperidine-4-carboxylate
CID 56753969
ethyl 1-[3-(benzhydrylideneamino)-4-pyridinyl]cyclopropane-1-carboxylate
CID 156507662
ethyl 4-(2-methoxyethoxymethyl)piperidine-4-carboxylate
CID 70869304
ethyl 4-(2-ethoxy-2-hydroxyethyl)piperidine-4-carboxylate
CID 170591642
ethyl 1,3-dibenzoyl-2-oxocyclopentane-1-carboxylate
CID 22897627
4-ethoxycarbonylpiperidine-4-carboxylic acid;hydrobromide
CID 141202240
ethyl (3R)-3-(3-phenylpropyl)piperidine-3-carboxylate
CID 95220722
3-O'-benzyl 3-O-ethyl piperidine-3,3-dicarboxylate
CID 22078511
ethyl 1-(phenylmethoxycarbonylaminomethyl)cyclopropane-1-carboxylate
CID 139907855

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(benzhydrylideneamino)methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 4-[(benzhydrylideneamino)methyl]piperidine-4-carboxylate (CID 59322287) is ethyl 4-[(benzhydrylideneamino)methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-[(benzhydrylideneamino)methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 4-[(benzhydrylideneamino)methyl]piperidine-4-carboxylate is CCOC(=O)C1(CN=C(c2ccccc2)c2ccccc2)CCNCC1.
What is the InChIKey of ethyl 4-[(benzhydrylideneamino)methyl]piperidine-4-carboxylate?
The InChIKey is CYINIZARHXYBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-2-26-21(25)22(13-15-23-16-14-22)17-24-20(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,23H,2,13-17H2,1H3.
What are the key properties of ethyl 4-[(benzhydrylideneamino)methyl]piperidine-4-carboxylate?
ethyl 4-[(benzhydrylideneamino)methyl]piperidine-4-carboxylate has a molecular weight of 350.46 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(benzhydrylideneamino)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 59322287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).