tert-butyl 4-hydroxypiperidine-1-carboxylate;piperidine-1-carboxylic acid

C16H30N2O5 — CID 158121025

IUPACtert-butyl 4-hydroxypiperidine-1-carboxylate;piperidine-1-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(O)CC1.O=C(O)N1CCCCC1
InChIInChI=1S/C10H19NO3.C6H11NO2/c1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;8-6(9)7-4-2-1-3-5-7/h8,12H,4-7H2,1-3H3;1-5H2,(H,8,9)
InChIKeyFRPLIKGBQOETDB-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.53
Rot. Bonds

About tert-butyl 4-hydroxypiperidine-1-carboxylate;piperidine-1-carboxylic acid

tert-butyl 4-hydroxypiperidine-1-carboxylate;piperidine-1-carboxylic acid (PubChem CID 158121025) has the molecular formula C16H30N2O5 and a molecular weight of 330.43 g/mol. Its IUPAC name is tert-butyl 4-hydroxypiperidine-1-carboxylate;piperidine-1-carboxylic acid.

Molecular Properties

Compound Nametert-butyl 4-hydroxypiperidine-1-carboxylate;piperidine-1-carboxylic acid
PubChem CID158121025
Molecular FormulaC16H30N2O5
Molecular Weight330.43 g/mol
Exact Mass330.22
IUPAC Nametert-butyl 4-hydroxypiperidine-1-carboxylate;piperidine-1-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(O)CC1.O=C(O)N1CCCCC1
InChIInChI=1S/C10H19NO3.C6H11NO2/c1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;8-6(9)7-4-2-1-3-5-7/h8,12H,4-7H2,1-3H3;1-5H2,(H,8,9)
InChIKeyFRPLIKGBQOETDB-UHFFFAOYSA-N
XLogP2.53
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxypiperidine-1-carboxylate;piperidine-1-carboxylic acid?
The IUPAC name of tert-butyl 4-hydroxypiperidine-1-carboxylate;piperidine-1-carboxylic acid (CID 158121025) is tert-butyl 4-hydroxypiperidine-1-carboxylate;piperidine-1-carboxylic acid.
What is the SMILES notation for tert-butyl 4-hydroxypiperidine-1-carboxylate;piperidine-1-carboxylic acid?
The canonical SMILES for tert-butyl 4-hydroxypiperidine-1-carboxylate;piperidine-1-carboxylic acid is CC(C)(C)OC(=O)N1CCC(O)CC1.O=C(O)N1CCCCC1.
What is the InChIKey of tert-butyl 4-hydroxypiperidine-1-carboxylate;piperidine-1-carboxylic acid?
The InChIKey is FRPLIKGBQOETDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3.C6H11NO2/c1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;8-6(9)7-4-2-1-3-5-7/h8,12H,4-7H2,1-3H3;1-5H2,(H,8,9).
What are the key properties of tert-butyl 4-hydroxypiperidine-1-carboxylate;piperidine-1-carboxylic acid?
tert-butyl 4-hydroxypiperidine-1-carboxylate;piperidine-1-carboxylic acid has a molecular weight of 330.43 g/mol, XLogP of 2.53, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxypiperidine-1-carboxylate;piperidine-1-carboxylic acid is sourced from PubChem (CID 158121025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).