4-(4-tert-butylphenoxy)-1-ethylpiperidine

C17H27NO — CID 118546891

IUPAC4-(4-tert-butylphenoxy)-1-ethylpiperidine
SMILESCCN1CCC(Oc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C17H27NO/c1-5-18-12-10-16(11-13-18)19-15-8-6-14(7-9-15)17(2,3)4/h6-9,16H,5,10-13H2,1-4H3
InChIKeyIRWSPCXAFLJROV-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.85
Rot. Bonds3

About 4-(4-tert-butylphenoxy)-1-ethylpiperidine

4-(4-tert-butylphenoxy)-1-ethylpiperidine (PubChem CID 118546891) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-(4-tert-butylphenoxy)-1-ethylpiperidine.

Molecular Properties

Compound Name4-(4-tert-butylphenoxy)-1-ethylpiperidine
PubChem CID118546891
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4-(4-tert-butylphenoxy)-1-ethylpiperidine
SMILESCCN1CCC(Oc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C17H27NO/c1-5-18-12-10-16(11-13-18)19-15-8-6-14(7-9-15)17(2,3)4/h6-9,16H,5,10-13H2,1-4H3
InChIKeyIRWSPCXAFLJROV-UHFFFAOYSA-N
XLogP3.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(4-tert-butylphenoxy)-1-ethylpiperidine 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 4-(4-tert-butylphenoxy)-1-ethylpiperidine?
The IUPAC name of 4-(4-tert-butylphenoxy)-1-ethylpiperidine (CID 118546891) is 4-(4-tert-butylphenoxy)-1-ethylpiperidine.
What is the SMILES notation for 4-(4-tert-butylphenoxy)-1-ethylpiperidine?
The canonical SMILES for 4-(4-tert-butylphenoxy)-1-ethylpiperidine is CCN1CCC(Oc2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 4-(4-tert-butylphenoxy)-1-ethylpiperidine?
The InChIKey is IRWSPCXAFLJROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-18-12-10-16(11-13-18)19-15-8-6-14(7-9-15)17(2,3)4/h6-9,16H,5,10-13H2,1-4H3.
What are the key properties of 4-(4-tert-butylphenoxy)-1-ethylpiperidine?
4-(4-tert-butylphenoxy)-1-ethylpiperidine has a molecular weight of 261.41 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenoxy)-1-ethylpiperidine is sourced from PubChem (CID 118546891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).