tert-butyl formate;(3R)-piperidin-3-ol

C10H21NO3 — CID 158926595

IUPACtert-butyl formate;(3R)-piperidin-3-ol
SMILESCC(C)(C)OC=O.O[C@@H]1CCCNC1
InChIInChI=1S/C5H11NO.C5H10O2/c7-5-2-1-3-6-4-5;1-5(2,3)7-4-6/h5-7H,1-4H2;4H,1-3H3/t5-;/m1./s1
InChIKeyJINGTHAMOZKCNR-NUBCRITNSA-N
MW203.28 g/mol
LogP0.69
Rot. Bonds1

About tert-butyl formate;(3R)-piperidin-3-ol

tert-butyl formate;(3R)-piperidin-3-ol (PubChem CID 158926595) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is tert-butyl formate;(3R)-piperidin-3-ol.

Molecular Properties

Compound Nametert-butyl formate;(3R)-piperidin-3-ol
PubChem CID158926595
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Nametert-butyl formate;(3R)-piperidin-3-ol
SMILESCC(C)(C)OC=O.O[C@@H]1CCCNC1
InChIInChI=1S/C5H11NO.C5H10O2/c7-5-2-1-3-6-4-5;1-5(2,3)7-4-6/h5-7H,1-4H2;4H,1-3H3/t5-;/m1./s1
InChIKeyJINGTHAMOZKCNR-NUBCRITNSA-N
XLogP0.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;(3R)-piperidin-3-ol?
The IUPAC name of tert-butyl formate;(3R)-piperidin-3-ol (CID 158926595) is tert-butyl formate;(3R)-piperidin-3-ol.
What is the SMILES notation for tert-butyl formate;(3R)-piperidin-3-ol?
The canonical SMILES for tert-butyl formate;(3R)-piperidin-3-ol is CC(C)(C)OC=O.O[C@@H]1CCCNC1.
What is the InChIKey of tert-butyl formate;(3R)-piperidin-3-ol?
The InChIKey is JINGTHAMOZKCNR-NUBCRITNSA-N. The full InChI is InChI=1S/C5H11NO.C5H10O2/c7-5-2-1-3-6-4-5;1-5(2,3)7-4-6/h5-7H,1-4H2;4H,1-3H3/t5-;/m1./s1.
What are the key properties of tert-butyl formate;(3R)-piperidin-3-ol?
tert-butyl formate;(3R)-piperidin-3-ol has a molecular weight of 203.28 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;(3R)-piperidin-3-ol is sourced from PubChem (CID 158926595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).