benzyl 4-(2-aminophenyl)piperazine-1-carboxylate

C18H21N3O2 — CID 118318710

IUPACbenzyl 4-(2-aminophenyl)piperazine-1-carboxylate
SMILESNc1ccccc1N1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C18H21N3O2/c19-16-8-4-5-9-17(16)20-10-12-21(13-11-20)18(22)23-14-15-6-2-1-3-7-15/h1-9H,10-14,19H2
InChIKeyUZTSHGCGBFVALO-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.73
Rot. Bonds3

About benzyl 4-(2-aminophenyl)piperazine-1-carboxylate

benzyl 4-(2-aminophenyl)piperazine-1-carboxylate (PubChem CID 118318710) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is benzyl 4-(2-aminophenyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(2-aminophenyl)piperazine-1-carboxylate
PubChem CID118318710
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Namebenzyl 4-(2-aminophenyl)piperazine-1-carboxylate
SMILESNc1ccccc1N1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C18H21N3O2/c19-16-8-4-5-9-17(16)20-10-12-21(13-11-20)18(22)23-14-15-6-2-1-3-7-15/h1-9H,10-14,19H2
InChIKeyUZTSHGCGBFVALO-UHFFFAOYSA-N
XLogP2.73
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate
CID 19034142
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 4-(4-amino-2-fluorophenyl)piperazine-1-carboxylate
CID 24938727
benzyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate
CID 54123735
4-(2-aminophenyl)piperazine-1-carboxylic acid
CID 68854737
benzyl piperidine-1-carboxylate
CID 158057698
benzyl 4-[4-(3,4-dihydro-2H-quinoxalin-1-yl)phenyl]piperazine-1-carboxylate
CID 66863213
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 4-[(2-aminophenyl)methyl]piperidine-1-carboxylate
CID 66689754
pyridin-4-ylmethyl 4-phenylpiperazine-1-carboxylate
CID 44511304
benzyl N-[1-(2-aminophenyl)-4-methylpiperidin-4-yl]carbamate
CID 68551535

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(2-aminophenyl)piperazine-1-carboxylate?
The IUPAC name of benzyl 4-(2-aminophenyl)piperazine-1-carboxylate (CID 118318710) is benzyl 4-(2-aminophenyl)piperazine-1-carboxylate.
What is the SMILES notation for benzyl 4-(2-aminophenyl)piperazine-1-carboxylate?
The canonical SMILES for benzyl 4-(2-aminophenyl)piperazine-1-carboxylate is Nc1ccccc1N1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-(2-aminophenyl)piperazine-1-carboxylate?
The InChIKey is UZTSHGCGBFVALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c19-16-8-4-5-9-17(16)20-10-12-21(13-11-20)18(22)23-14-15-6-2-1-3-7-15/h1-9H,10-14,19H2.
What are the key properties of benzyl 4-(2-aminophenyl)piperazine-1-carboxylate?
benzyl 4-(2-aminophenyl)piperazine-1-carboxylate has a molecular weight of 311.38 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(2-aminophenyl)piperazine-1-carboxylate is sourced from PubChem (CID 118318710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).