(4-aminophenyl)methyl piperidine-1-carboxylate

C13H18N2O2 — CID 67586124

IUPAC(4-aminophenyl)methyl piperidine-1-carboxylate
SMILESNc1ccc(COC(=O)N2CCCCC2)cc1
InChIInChI=1S/C13H18N2O2/c14-12-6-4-11(5-7-12)10-17-13(16)15-8-2-1-3-9-15/h4-7H,1-3,8-10,14H2
InChIKeyLAURHFOSBLHGPG-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.39
Rot. Bonds2

About (4-aminophenyl)methyl piperidine-1-carboxylate

(4-aminophenyl)methyl piperidine-1-carboxylate (PubChem CID 67586124) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (4-aminophenyl)methyl piperidine-1-carboxylate.

Molecular Properties

Compound Name(4-aminophenyl)methyl piperidine-1-carboxylate
PubChem CID67586124
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(4-aminophenyl)methyl piperidine-1-carboxylate
SMILESNc1ccc(COC(=O)N2CCCCC2)cc1
InChIInChI=1S/C13H18N2O2/c14-12-6-4-11(5-7-12)10-17-13(16)15-8-2-1-3-9-15/h4-7H,1-3,8-10,14H2
InChIKeyLAURHFOSBLHGPG-UHFFFAOYSA-N
XLogP2.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (4-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 piperidine-1-carboxylate
CID 158057698
(4-nitrophenyl)methyl piperidine-1-carboxylate
CID 14021155
(4-acetamidophenyl)methyl piperidine-1-carboxylate
CID 67794998
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl aziridine-1-carboxylate;silane
CID 158496499
N-[(4-aminophenyl)methyl]pyrrolidine-1-carboxamide
CID 79161211
benzyl piperidine-1-carboxylate;1-bromo-2-fluorobenzene
CID 143436152
(4-hydroxyphenyl)methyl piperazine-1-carboxylate
CID 141088102
benzyl 4-(piperidin-1-ylmethylidene)piperidine-1-carboxylate
CID 86642880
benzyl 7-amino-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate
CID 58015350
[3-chloro-4-(trifluoromethoxy)phenyl]methyl piperidine-1-carboxylate
CID 66720549
benzyl (4R)-4-pyrrolidin-1-ylazepane-1-carboxylate
CID 71192780

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)methyl piperidine-1-carboxylate?
The IUPAC name of (4-aminophenyl)methyl piperidine-1-carboxylate (CID 67586124) is (4-aminophenyl)methyl piperidine-1-carboxylate.
What is the SMILES notation for (4-aminophenyl)methyl piperidine-1-carboxylate?
The canonical SMILES for (4-aminophenyl)methyl piperidine-1-carboxylate is Nc1ccc(COC(=O)N2CCCCC2)cc1.
What is the InChIKey of (4-aminophenyl)methyl piperidine-1-carboxylate?
The InChIKey is LAURHFOSBLHGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-12-6-4-11(5-7-12)10-17-13(16)15-8-2-1-3-9-15/h4-7H,1-3,8-10,14H2.
What are the key properties of (4-aminophenyl)methyl piperidine-1-carboxylate?
(4-aminophenyl)methyl piperidine-1-carboxylate has a molecular weight of 234.30 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)methyl piperidine-1-carboxylate is sourced from PubChem (CID 67586124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).