benzyl N-[1-(2-aminophenyl)-4-methylpiperidin-4-yl]carbamate

C20H25N3O2 — CID 68551535

IUPACbenzyl N-[1-(2-aminophenyl)-4-methylpiperidin-4-yl]carbamate
SMILESCC1(NC(=O)OCc2ccccc2)CCN(c2ccccc2N)CC1
InChIInChI=1S/C20H25N3O2/c1-20(22-19(24)25-15-16-7-3-2-4-8-16)11-13-23(14-12-20)18-10-6-5-9-17(18)21/h2-10H,11-15,21H2,1H3,(H,22,24)
InChIKeyYNLFOCGGKPXMOV-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.55
Rot. Bonds4

About benzyl N-[1-(2-aminophenyl)-4-methylpiperidin-4-yl]carbamate

benzyl N-[1-(2-aminophenyl)-4-methylpiperidin-4-yl]carbamate (PubChem CID 68551535) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is benzyl N-[1-(2-aminophenyl)-4-methylpiperidin-4-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(2-aminophenyl)-4-methylpiperidin-4-yl]carbamate
PubChem CID68551535
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Namebenzyl N-[1-(2-aminophenyl)-4-methylpiperidin-4-yl]carbamate
SMILESCC1(NC(=O)OCc2ccccc2)CCN(c2ccccc2N)CC1
InChIInChI=1S/C20H25N3O2/c1-20(22-19(24)25-15-16-7-3-2-4-8-16)11-13-23(14-12-20)18-10-6-5-9-17(18)21/h2-10H,11-15,21H2,1H3,(H,22,24)
InChIKeyYNLFOCGGKPXMOV-UHFFFAOYSA-N
XLogP3.55
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze benzyl N-[1-(2-aminophenyl)-4-methylpiperidin-4-yl]carbamate 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

2-[4-methyl-4-(phenylmethoxycarbonylamino)piperidin-1-yl]-2-oxoacetic acid
CID 66741713
tert-butyl 6-[4-methyl-4-(phenylmethoxycarbonylamino)piperidin-1-yl]pyridine-3-carboxylate
CID 66757137
benzyl 4-(2-aminophenyl)piperazine-1-carboxylate
CID 118318710
benzyl 4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 19691286
benzyl N-[(3R)-3-methylazepan-3-yl]carbamate
CID 175203765
benzyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-bicyclo[2.2.2]octanyl]carbamate
CID 135397622
benzyl N-[(3R)-1-(3-aminopropyl)-3-methyl-2-oxopyrrolidin-3-yl]carbamate
CID 23626669
[(3S)-3-methyl-3-(phenylmethoxycarbonylamino)cyclohexyl]carbamic acid
CID 122514592
methyl (3S,8R)-8-methyl-8-(phenylmethoxycarbonylamino)-3,4,6,7-tetrahydro-2H-pyrrolo[1,2-a]pyrimidine-3-carboxylate
CID 23626839
S-[4-(phenylmethoxycarbonylamino)-1-bicyclo[2.2.2]octanyl] ethanethioate
CID 59543972
(2R)-2-[[1-(phenylmethoxycarbonylamino)cyclopropanecarbonyl]amino]propanoic acid
CID 70234502
benzyl N-[(1S)-2-hydroxy-1-methylcyclopentyl]carbamate
CID 57287930

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(2-aminophenyl)-4-methylpiperidin-4-yl]carbamate?
The IUPAC name of benzyl N-[1-(2-aminophenyl)-4-methylpiperidin-4-yl]carbamate (CID 68551535) is benzyl N-[1-(2-aminophenyl)-4-methylpiperidin-4-yl]carbamate.
What is the SMILES notation for benzyl N-[1-(2-aminophenyl)-4-methylpiperidin-4-yl]carbamate?
The canonical SMILES for benzyl N-[1-(2-aminophenyl)-4-methylpiperidin-4-yl]carbamate is CC1(NC(=O)OCc2ccccc2)CCN(c2ccccc2N)CC1.
What is the InChIKey of benzyl N-[1-(2-aminophenyl)-4-methylpiperidin-4-yl]carbamate?
The InChIKey is YNLFOCGGKPXMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-20(22-19(24)25-15-16-7-3-2-4-8-16)11-13-23(14-12-20)18-10-6-5-9-17(18)21/h2-10H,11-15,21H2,1H3,(H,22,24).
What are the key properties of benzyl N-[1-(2-aminophenyl)-4-methylpiperidin-4-yl]carbamate?
benzyl N-[1-(2-aminophenyl)-4-methylpiperidin-4-yl]carbamate has a molecular weight of 339.44 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(2-aminophenyl)-4-methylpiperidin-4-yl]carbamate is sourced from PubChem (CID 68551535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).