tert-butyl 4-(4-hydroxyphenyl)piperidine-1-carboxylate

C16H23NO3 — CID 19381871

IUPACtert-butyl 4-(4-hydroxyphenyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C16H23NO3/c1-16(2,3)20-15(19)17-10-8-13(9-11-17)12-4-6-14(18)7-5-12/h4-7,13,18H,8-11H2,1-3H3
InChIKeyCUUQNEXFGPWNPJ-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.51
Rot. Bonds1

About tert-butyl 4-(4-hydroxyphenyl)piperidine-1-carboxylate

tert-butyl 4-(4-hydroxyphenyl)piperidine-1-carboxylate (PubChem CID 19381871) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is tert-butyl 4-(4-hydroxyphenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-hydroxyphenyl)piperidine-1-carboxylate
PubChem CID19381871
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nametert-butyl 4-(4-hydroxyphenyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C16H23NO3/c1-16(2,3)20-15(19)17-10-8-13(9-11-17)12-4-6-14(18)7-5-12/h4-7,13,18H,8-11H2,1-3H3
InChIKeyCUUQNEXFGPWNPJ-UHFFFAOYSA-N
XLogP3.51
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 4-(4-hydroxyphenyl)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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-hydroxyphenyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-hydroxyphenyl)piperidine-1-carboxylate (CID 19381871) is tert-butyl 4-(4-hydroxyphenyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-hydroxyphenyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-hydroxyphenyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2ccc(O)cc2)CC1.
What is the InChIKey of tert-butyl 4-(4-hydroxyphenyl)piperidine-1-carboxylate?
The InChIKey is CUUQNEXFGPWNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-16(2,3)20-15(19)17-10-8-13(9-11-17)12-4-6-14(18)7-5-12/h4-7,13,18H,8-11H2,1-3H3.
What are the key properties of tert-butyl 4-(4-hydroxyphenyl)piperidine-1-carboxylate?
tert-butyl 4-(4-hydroxyphenyl)piperidine-1-carboxylate has a molecular weight of 277.36 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-hydroxyphenyl)piperidine-1-carboxylate is sourced from PubChem (CID 19381871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).