1,2,2,3-tetramethylpiperidin-4-ol;2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-ol

C21H42N2O2 — CID 175423220

IUPAC1,2,2,3-tetramethylpiperidin-4-ol;2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-ol
SMILESC=CCN1C(C)(C)CC(O)CC1(C)C.CC1C(O)CCN(C)C1(C)C
InChIInChI=1S/C12H23NO.C9H19NO/c1-6-7-13-11(2,3)8-10(14)9-12(13,4)5;1-7-8(11)5-6-10(4)9(7,2)3/h6,10,14H,1,7-9H2,2-5H3;7-8,11H,5-6H2,1-4H3
InChIKeyQCXJJYNCIGQVCE-UHFFFAOYSA-N
MW354.58 g/mol
LogP3.28
Rot. Bonds2

About 1,2,2,3-tetramethylpiperidin-4-ol;2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-ol

1,2,2,3-tetramethylpiperidin-4-ol;2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-ol (PubChem CID 175423220) has the molecular formula C21H42N2O2 and a molecular weight of 354.58 g/mol. Its IUPAC name is 1,2,2,3-tetramethylpiperidin-4-ol;2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-ol.

Molecular Properties

Compound Name1,2,2,3-tetramethylpiperidin-4-ol;2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-ol
PubChem CID175423220
Molecular FormulaC21H42N2O2
Molecular Weight354.58 g/mol
Exact Mass354.32
IUPAC Name1,2,2,3-tetramethylpiperidin-4-ol;2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-ol
SMILESC=CCN1C(C)(C)CC(O)CC1(C)C.CC1C(O)CCN(C)C1(C)C
InChIInChI=1S/C12H23NO.C9H19NO/c1-6-7-13-11(2,3)8-10(14)9-12(13,4)5;1-7-8(11)5-6-10(4)9(7,2)3/h6,10,14H,1,7-9H2,2-5H3;7-8,11H,5-6H2,1-4H3
InChIKeyQCXJJYNCIGQVCE-UHFFFAOYSA-N
XLogP3.28
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.58
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,3-tetramethylpiperidin-4-ol;2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-ol?
The IUPAC name of 1,2,2,3-tetramethylpiperidin-4-ol;2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-ol (CID 175423220) is 1,2,2,3-tetramethylpiperidin-4-ol;2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-ol.
What is the SMILES notation for 1,2,2,3-tetramethylpiperidin-4-ol;2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-ol?
The canonical SMILES for 1,2,2,3-tetramethylpiperidin-4-ol;2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-ol is C=CCN1C(C)(C)CC(O)CC1(C)C.CC1C(O)CCN(C)C1(C)C.
What is the InChIKey of 1,2,2,3-tetramethylpiperidin-4-ol;2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-ol?
The InChIKey is QCXJJYNCIGQVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO.C9H19NO/c1-6-7-13-11(2,3)8-10(14)9-12(13,4)5;1-7-8(11)5-6-10(4)9(7,2)3/h6,10,14H,1,7-9H2,2-5H3;7-8,11H,5-6H2,1-4H3.
What are the key properties of 1,2,2,3-tetramethylpiperidin-4-ol;2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-ol?
1,2,2,3-tetramethylpiperidin-4-ol;2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-ol has a molecular weight of 354.58 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3-tetramethylpiperidin-4-ol;2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-ol is sourced from PubChem (CID 175423220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).