(2-tert-butylphenyl) piperidine-4-carboxylate

C16H23NO2 — CID 82121784

IUPAC(2-tert-butylphenyl) piperidine-4-carboxylate
SMILESCC(C)(C)c1ccccc1OC(=O)C1CCNCC1
InChIInChI=1S/C16H23NO2/c1-16(2,3)13-6-4-5-7-14(13)19-15(18)12-8-10-17-11-9-12/h4-7,12,17H,8-11H2,1-3H3
InChIKeyQNMYWBSZWMZKJI-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.89
Rot. Bonds2

About (2-tert-butylphenyl) piperidine-4-carboxylate

(2-tert-butylphenyl) piperidine-4-carboxylate (PubChem CID 82121784) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (2-tert-butylphenyl) piperidine-4-carboxylate.

Molecular Properties

Compound Name(2-tert-butylphenyl) piperidine-4-carboxylate
PubChem CID82121784
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(2-tert-butylphenyl) piperidine-4-carboxylate
SMILESCC(C)(C)c1ccccc1OC(=O)C1CCNCC1
InChIInChI=1S/C16H23NO2/c1-16(2,3)13-6-4-5-7-14(13)19-15(18)12-8-10-17-11-9-12/h4-7,12,17H,8-11H2,1-3H3
InChIKeyQNMYWBSZWMZKJI-UHFFFAOYSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-tert-butylphenyl) piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-tert-butylphenyl) piperidine-4-carboxylate?
The IUPAC name of (2-tert-butylphenyl) piperidine-4-carboxylate (CID 82121784) is (2-tert-butylphenyl) piperidine-4-carboxylate.
What is the SMILES notation for (2-tert-butylphenyl) piperidine-4-carboxylate?
The canonical SMILES for (2-tert-butylphenyl) piperidine-4-carboxylate is CC(C)(C)c1ccccc1OC(=O)C1CCNCC1.
What is the InChIKey of (2-tert-butylphenyl) piperidine-4-carboxylate?
The InChIKey is QNMYWBSZWMZKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-16(2,3)13-6-4-5-7-14(13)19-15(18)12-8-10-17-11-9-12/h4-7,12,17H,8-11H2,1-3H3.
What are the key properties of (2-tert-butylphenyl) piperidine-4-carboxylate?
(2-tert-butylphenyl) piperidine-4-carboxylate has a molecular weight of 261.37 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylphenyl) piperidine-4-carboxylate is sourced from PubChem (CID 82121784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).