tert-butyl formate;2,6-dimethylpiperidin-4-ol

C12H25NO3 — CID 174682531

IUPACtert-butyl formate;2,6-dimethylpiperidin-4-ol
SMILESCC(C)(C)OC=O.CC1CC(O)CC(C)N1
InChIInChI=1S/C7H15NO.C5H10O2/c1-5-3-7(9)4-6(2)8-5;1-5(2,3)7-4-6/h5-9H,3-4H2,1-2H3;4H,1-3H3
InChIKeyHILMORNUMVYRHU-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.47
Rot. Bonds1

About tert-butyl formate;2,6-dimethylpiperidin-4-ol

tert-butyl formate;2,6-dimethylpiperidin-4-ol (PubChem CID 174682531) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is tert-butyl formate;2,6-dimethylpiperidin-4-ol.

Molecular Properties

Compound Nametert-butyl formate;2,6-dimethylpiperidin-4-ol
PubChem CID174682531
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Nametert-butyl formate;2,6-dimethylpiperidin-4-ol
SMILESCC(C)(C)OC=O.CC1CC(O)CC(C)N1
InChIInChI=1S/C7H15NO.C5H10O2/c1-5-3-7(9)4-6(2)8-5;1-5(2,3)7-4-6/h5-9H,3-4H2,1-2H3;4H,1-3H3
InChIKeyHILMORNUMVYRHU-UHFFFAOYSA-N
XLogP1.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,6S)-2,6-dimethylpiperidin-4-ol;hydrochloride
CID 164888528
(2S,6R)-2,6-dimethylpiperidin-4-ol;hydrochloride
CID 164888527
tert-butyl formate;cyclononane
CID 174460222
tert-butyl formate;ethane
CID 175326717
tert-butyl formate;(3R)-piperidin-3-ol
CID 158926595
tert-butyl formate;(2S)-2-methylpiperazine
CID 158074462
tert-butyl formate;piperazine
CID 159581918
tert-butyl formate;4-ethynyl-2-methylpyrrolidine
CID 174782211
(3S,4R)-1-amino-4-methylpyrrolidin-3-ol;tert-butyl formate
CID 160939790
(3R,4R)-4-aminopyrrolidin-3-ol;tert-butyl formate
CID 174893952
tert-butyl formate;5-oxa-2-azabicyclo[2.1.0]pentane
CID 174934181
tert-butyl formate;1-(4-fluorophenyl)-2-methylpiperidin-4-ol
CID 175286879

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;2,6-dimethylpiperidin-4-ol?
The IUPAC name of tert-butyl formate;2,6-dimethylpiperidin-4-ol (CID 174682531) is tert-butyl formate;2,6-dimethylpiperidin-4-ol.
What is the SMILES notation for tert-butyl formate;2,6-dimethylpiperidin-4-ol?
The canonical SMILES for tert-butyl formate;2,6-dimethylpiperidin-4-ol is CC(C)(C)OC=O.CC1CC(O)CC(C)N1.
What is the InChIKey of tert-butyl formate;2,6-dimethylpiperidin-4-ol?
The InChIKey is HILMORNUMVYRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C5H10O2/c1-5-3-7(9)4-6(2)8-5;1-5(2,3)7-4-6/h5-9H,3-4H2,1-2H3;4H,1-3H3.
What are the key properties of tert-butyl formate;2,6-dimethylpiperidin-4-ol?
tert-butyl formate;2,6-dimethylpiperidin-4-ol has a molecular weight of 231.34 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;2,6-dimethylpiperidin-4-ol is sourced from PubChem (CID 174682531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).