1-hydroxy-2,2,4,6,6-pentamethylpiperidine;1,3-xylene

C18H31NO — CID 143260673

IUPAC1-hydroxy-2,2,4,6,6-pentamethylpiperidine;1,3-xylene
SMILESCC1CC(C)(C)N(O)C(C)(C)C1.Cc1cccc(C)c1
InChIInChI=1S/C10H21NO.C8H10/c1-8-6-9(2,3)11(12)10(4,5)7-8;1-7-4-3-5-8(2)6-7/h8,12H,6-7H2,1-5H3;3-6H,1-2H3
InChIKeyLGCRGKZMMPLQDO-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.97
Rot. Bonds

About 1-hydroxy-2,2,4,6,6-pentamethylpiperidine;1,3-xylene

1-hydroxy-2,2,4,6,6-pentamethylpiperidine;1,3-xylene (PubChem CID 143260673) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 1-hydroxy-2,2,4,6,6-pentamethylpiperidine;1,3-xylene.

Molecular Properties

Compound Name1-hydroxy-2,2,4,6,6-pentamethylpiperidine;1,3-xylene
PubChem CID143260673
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name1-hydroxy-2,2,4,6,6-pentamethylpiperidine;1,3-xylene
SMILESCC1CC(C)(C)N(O)C(C)(C)C1.Cc1cccc(C)c1
InChIInChI=1S/C10H21NO.C8H10/c1-8-6-9(2,3)11(12)10(4,5)7-8;1-7-4-3-5-8(2)6-7/h8,12H,6-7H2,1-5H3;3-6H,1-2H3
InChIKeyLGCRGKZMMPLQDO-UHFFFAOYSA-N
XLogP4.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-Hydroxymephentermine
CID 173639
2,2,6,6-tetramethyl-1-[(E)-3-phenylprop-2-enoxy]piperidine
CID 11482708
CID 101692214
CID 101692214
4-Phenylpiperidin-1-ol
CID 18412276
2-Benzylpiperidin-1-ol
CID 22911584
2,2,6,6-Tetramethyl-4-(phenylethynyl)-1-piperidinol
CID 379388
4-(4-fluorophenyl)-1-hydroxy-2,2,6,6-tetramethyl-3H-pyridine
CID 59780300
4-(4-Fluorophenyl)-1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 69047703
1-Hydroxy-2,2,3,5,5-pentamethyl-4-[3-(trifluoromethyl)phenyl]pyrrole
CID 71209545
4-(4-Cyclohepta-2,4,6-trien-1-yl-3-fluorophenyl)-1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 129205880
4-[2-fluoro-4-[(3E)-hepta-3,6-dienyl]phenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine
CID 134486670
4-(2,6-Difluoro-4-propylphenyl)-1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 134488565

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,2,4,6,6-pentamethylpiperidine;1,3-xylene?
The IUPAC name of 1-hydroxy-2,2,4,6,6-pentamethylpiperidine;1,3-xylene (CID 143260673) is 1-hydroxy-2,2,4,6,6-pentamethylpiperidine;1,3-xylene.
What is the SMILES notation for 1-hydroxy-2,2,4,6,6-pentamethylpiperidine;1,3-xylene?
The canonical SMILES for 1-hydroxy-2,2,4,6,6-pentamethylpiperidine;1,3-xylene is CC1CC(C)(C)N(O)C(C)(C)C1.Cc1cccc(C)c1.
What is the InChIKey of 1-hydroxy-2,2,4,6,6-pentamethylpiperidine;1,3-xylene?
The InChIKey is LGCRGKZMMPLQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO.C8H10/c1-8-6-9(2,3)11(12)10(4,5)7-8;1-7-4-3-5-8(2)6-7/h8,12H,6-7H2,1-5H3;3-6H,1-2H3.
What are the key properties of 1-hydroxy-2,2,4,6,6-pentamethylpiperidine;1,3-xylene?
1-hydroxy-2,2,4,6,6-pentamethylpiperidine;1,3-xylene has a molecular weight of 277.45 g/mol, XLogP of 4.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,2,4,6,6-pentamethylpiperidine;1,3-xylene is sourced from PubChem (CID 143260673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).