benzyl 4-[(2-aminophenyl)methyl]piperidine-1-carboxylate

C20H24N2O2 — CID 66689754

IUPACbenzyl 4-[(2-aminophenyl)methyl]piperidine-1-carboxylate
SMILESNc1ccccc1CC1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C20H24N2O2/c21-19-9-5-4-8-18(19)14-16-10-12-22(13-11-16)20(23)24-15-17-6-2-1-3-7-17/h1-9,16H,10-15,21H2
InChIKeyWTRVUDFLTSKKCG-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.86
Rot. Bonds4

About benzyl 4-[(2-aminophenyl)methyl]piperidine-1-carboxylate

benzyl 4-[(2-aminophenyl)methyl]piperidine-1-carboxylate (PubChem CID 66689754) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is benzyl 4-[(2-aminophenyl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[(2-aminophenyl)methyl]piperidine-1-carboxylate
PubChem CID66689754
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Namebenzyl 4-[(2-aminophenyl)methyl]piperidine-1-carboxylate
SMILESNc1ccccc1CC1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C20H24N2O2/c21-19-9-5-4-8-18(19)14-16-10-12-22(13-11-16)20(23)24-15-17-6-2-1-3-7-17/h1-9,16H,10-15,21H2
InChIKeyWTRVUDFLTSKKCG-UHFFFAOYSA-N
XLogP3.86
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze benzyl 4-[(2-aminophenyl)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

benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 4-(2-aminoethyl)piperidine-1-carboxylate
CID 22405759
benzyl 4-(2-chloroethyl)piperidine-1-carboxylate
CID 71646574
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-bromopiperidine-1-carboxylate
CID 2776275
benzyl 4-[(2-aminophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate
CID 155090457
amino-(1-phenylmethoxycarbonylpiperidin-4-yl)carbamic acid
CID 57102196
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 4-[(cyclohexylmethyldisulfanyl)methyl]piperidine-1-carboxylate
CID 167619459
ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
benzyl 4-(3-aminocyclobutyl)piperidine-1-carboxylate
CID 166595522
benzyl (3S)-3-(bromomethyl)pyrrolidine-1-carboxylate
CID 96555481

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[(2-aminophenyl)methyl]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[(2-aminophenyl)methyl]piperidine-1-carboxylate (CID 66689754) is benzyl 4-[(2-aminophenyl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[(2-aminophenyl)methyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[(2-aminophenyl)methyl]piperidine-1-carboxylate is Nc1ccccc1CC1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-[(2-aminophenyl)methyl]piperidine-1-carboxylate?
The InChIKey is WTRVUDFLTSKKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c21-19-9-5-4-8-18(19)14-16-10-12-22(13-11-16)20(23)24-15-17-6-2-1-3-7-17/h1-9,16H,10-15,21H2.
What are the key properties of benzyl 4-[(2-aminophenyl)methyl]piperidine-1-carboxylate?
benzyl 4-[(2-aminophenyl)methyl]piperidine-1-carboxylate has a molecular weight of 324.42 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[(2-aminophenyl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 66689754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).