tert-butyl 3,4-dihydroxy-4-phenylpiperidine-1-carboxylate

C16H23NO4 — CID 20870871

IUPACtert-butyl 3,4-dihydroxy-4-phenylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(c2ccccc2)C(O)C1
InChIInChI=1S/C16H23NO4/c1-15(2,3)21-14(19)17-10-9-16(20,13(18)11-17)12-7-5-4-6-8-12/h4-8,13,18,20H,9-11H2,1-3H3
InChIKeyVZPOTZUPLUDJOL-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.88
Rot. Bonds1

About tert-butyl 3,4-dihydroxy-4-phenylpiperidine-1-carboxylate

tert-butyl 3,4-dihydroxy-4-phenylpiperidine-1-carboxylate (PubChem CID 20870871) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is tert-butyl 3,4-dihydroxy-4-phenylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3,4-dihydroxy-4-phenylpiperidine-1-carboxylate
PubChem CID20870871
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Nametert-butyl 3,4-dihydroxy-4-phenylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(c2ccccc2)C(O)C1
InChIInChI=1S/C16H23NO4/c1-15(2,3)21-14(19)17-10-9-16(20,13(18)11-17)12-7-5-4-6-8-12/h4-8,13,18,20H,9-11H2,1-3H3
InChIKeyVZPOTZUPLUDJOL-UHFFFAOYSA-N
XLogP1.88
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3,4-dihydroxy-4-phenylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3,4-dihydroxy-4-phenylpiperidine-1-carboxylate (CID 20870871) is tert-butyl 3,4-dihydroxy-4-phenylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3,4-dihydroxy-4-phenylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3,4-dihydroxy-4-phenylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(O)(c2ccccc2)C(O)C1.
What is the InChIKey of tert-butyl 3,4-dihydroxy-4-phenylpiperidine-1-carboxylate?
The InChIKey is VZPOTZUPLUDJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-15(2,3)21-14(19)17-10-9-16(20,13(18)11-17)12-7-5-4-6-8-12/h4-8,13,18,20H,9-11H2,1-3H3.
What are the key properties of tert-butyl 3,4-dihydroxy-4-phenylpiperidine-1-carboxylate?
tert-butyl 3,4-dihydroxy-4-phenylpiperidine-1-carboxylate has a molecular weight of 293.36 g/mol, XLogP of 1.88, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3,4-dihydroxy-4-phenylpiperidine-1-carboxylate is sourced from PubChem (CID 20870871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).