1-hydroxy-2,2,6,6-tetramethylpiperidine

C27H57N3O3 — CID 139190631

IUPAC1-hydroxy-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CCCC(C)(C)N1O.CC1(C)CCCC(C)(C)N1O.CC1(C)CCCC(C)(C)N1O
InChIInChI=1S/3C9H19NO/c3*1-8(2)6-5-7-9(3,4)10(8)11/h3*11H,5-7H2,1-4H3
InChIKeyISNCIZVKAFGGIP-UHFFFAOYSA-N
MW471.77 g/mol
LogP7.26
Rot. Bonds

About 1-hydroxy-2,2,6,6-tetramethylpiperidine

1-hydroxy-2,2,6,6-tetramethylpiperidine (PubChem CID 139190631) has the molecular formula C27H57N3O3 and a molecular weight of 471.77 g/mol. Its IUPAC name is 1-hydroxy-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name1-hydroxy-2,2,6,6-tetramethylpiperidine
PubChem CID139190631
Molecular FormulaC27H57N3O3
Molecular Weight471.77 g/mol
Exact Mass471.44
IUPAC Name1-hydroxy-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CCCC(C)(C)N1O.CC1(C)CCCC(C)(C)N1O.CC1(C)CCCC(C)(C)N1O
InChIInChI=1S/3C9H19NO/c3*1-8(2)6-5-7-9(3,4)10(8)11/h3*11H,5-7H2,1-4H3
InChIKeyISNCIZVKAFGGIP-UHFFFAOYSA-N
XLogP7.26
TPSA70.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.77
LogP ≤ 57.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 1-hydroxy-2,2,6,6-tetramethylpiperidine (CID 139190631) is 1-hydroxy-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 1-hydroxy-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 1-hydroxy-2,2,6,6-tetramethylpiperidine is CC1(C)CCCC(C)(C)N1O.CC1(C)CCCC(C)(C)N1O.CC1(C)CCCC(C)(C)N1O.
What is the InChIKey of 1-hydroxy-2,2,6,6-tetramethylpiperidine?
The InChIKey is ISNCIZVKAFGGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H19NO/c3*1-8(2)6-5-7-9(3,4)10(8)11/h3*11H,5-7H2,1-4H3.
What are the key properties of 1-hydroxy-2,2,6,6-tetramethylpiperidine?
1-hydroxy-2,2,6,6-tetramethylpiperidine has a molecular weight of 471.77 g/mol, XLogP of 7.26, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 139190631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).