tert-butyl 2-[(benzylideneamino)methyl]piperidine-1-carboxylate

C18H26N2O2 — CID 146680133

IUPACtert-butyl 2-[(benzylideneamino)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1C/N=C/c1ccccc1
InChIInChI=1S/C18H26N2O2/c1-18(2,3)22-17(21)20-12-8-7-11-16(20)14-19-13-15-9-5-4-6-10-15/h4-6,9-10,13,16H,7-8,11-12,14H2,1-3H3/b19-13+
InChIKeyMZOPTFJGMCOSOR-CPNJWEJPSA-N
MW302.42 g/mol
LogP3.90
Rot. Bonds3

About tert-butyl 2-[(benzylideneamino)methyl]piperidine-1-carboxylate

tert-butyl 2-[(benzylideneamino)methyl]piperidine-1-carboxylate (PubChem CID 146680133) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is tert-butyl 2-[(benzylideneamino)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(benzylideneamino)methyl]piperidine-1-carboxylate
PubChem CID146680133
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Nametert-butyl 2-[(benzylideneamino)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1C/N=C/c1ccccc1
InChIInChI=1S/C18H26N2O2/c1-18(2,3)22-17(21)20-12-8-7-11-16(20)14-19-13-15-9-5-4-6-10-15/h4-6,9-10,13,16H,7-8,11-12,14H2,1-3H3/b19-13+
InChIKeyMZOPTFJGMCOSOR-CPNJWEJPSA-N
XLogP3.90
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl 2-[(benzylideneamino)methyl]piperidine-1-carboxylate 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

tert-butyl (2S)-2-benzylpiperidine-1-carboxylate
CID 94006022
tert-butyl (2R)-2-benzylpiperidine-1-carboxylate
CID 67726841
tert-butyl 2-(phenylsulfanylmethyl)piperidine-1-carboxylate
CID 69343898
tert-butyl (2R)-2-[(2S)-2-hydroxy-2-phenylethyl]piperidine-1-carboxylate
CID 11197513
tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidine-1-carboxylate
CID 175712806
tert-butyl 2-[[(2-methyl-3-phenylprop-2-enyl)amino]methyl]pyrrolidine-1-carboxylate
CID 68682190
tert-butyl (2R)-2-ethylpiperidine-1-carboxylate
CID 45095102
tert-butyl (2S)-2-(phenylselanylmethyl)pyrrolidine-1-carboxylate
CID 122386269
tert-butyl 2-(dibenzylamino)piperidine-1-carboxylate
CID 175955351
tert-butyl (2S)-2-(hydroxymethyl)azocane-1-carboxylate
CID 130839341
tert-butyl 2-(2,3-dihydroindol-1-ylmethyl)pyrrolidine-1-carboxylate
CID 137320652
tert-butyl 2-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperidine-1-carboxylate
CID 19367194

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(benzylideneamino)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[(benzylideneamino)methyl]piperidine-1-carboxylate (CID 146680133) is tert-butyl 2-[(benzylideneamino)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[(benzylideneamino)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[(benzylideneamino)methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1C/N=C/c1ccccc1.
What is the InChIKey of tert-butyl 2-[(benzylideneamino)methyl]piperidine-1-carboxylate?
The InChIKey is MZOPTFJGMCOSOR-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-18(2,3)22-17(21)20-12-8-7-11-16(20)14-19-13-15-9-5-4-6-10-15/h4-6,9-10,13,16H,7-8,11-12,14H2,1-3H3/b19-13+.
What are the key properties of tert-butyl 2-[(benzylideneamino)methyl]piperidine-1-carboxylate?
tert-butyl 2-[(benzylideneamino)methyl]piperidine-1-carboxylate has a molecular weight of 302.42 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(benzylideneamino)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 146680133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).