2-hydroxybenzoic acid;2,2,4,6,6-pentamethylpiperidine

C17H27NO3 — CID 21292179

IUPAC2-hydroxybenzoic acid;2,2,4,6,6-pentamethylpiperidine
SMILESCC1CC(C)(C)NC(C)(C)C1.O=C(O)c1ccccc1O
InChIInChI=1S/C10H21N.C7H6O3/c1-8-6-9(2,3)11-10(4,5)7-8;8-6-4-2-1-3-5(6)7(9)10/h8,11H,6-7H2,1-5H3;1-4,8H,(H,9,10)
InChIKeySXHLSDLNXWJCHH-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.65
Rot. Bonds1

About 2-hydroxybenzoic acid;2,2,4,6,6-pentamethylpiperidine

2-hydroxybenzoic acid;2,2,4,6,6-pentamethylpiperidine (PubChem CID 21292179) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-hydroxybenzoic acid;2,2,4,6,6-pentamethylpiperidine.

Molecular Properties

Compound Name2-hydroxybenzoic acid;2,2,4,6,6-pentamethylpiperidine
PubChem CID21292179
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2-hydroxybenzoic acid;2,2,4,6,6-pentamethylpiperidine
SMILESCC1CC(C)(C)NC(C)(C)C1.O=C(O)c1ccccc1O
InChIInChI=1S/C10H21N.C7H6O3/c1-8-6-9(2,3)11-10(4,5)7-8;8-6-4-2-1-3-5(6)7(9)10/h8,11H,6-7H2,1-5H3;1-4,8H,(H,9,10)
InChIKeySXHLSDLNXWJCHH-UHFFFAOYSA-N
XLogP3.65
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

CID 87183669
CID 87183669
(2-hydroxy-4-methylphenyl)-phenylmethanone;2,2,4,6,6-pentamethylpiperidine
CID 158485685
2-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbenzoic acid
CID 5194167
2-hydroxybenzoic acid;3,3,5-trimethylcyclohexane-1-carbaldehyde
CID 87453061
2-hydroxybenzoic acid;3,3,4-trimethylcyclohexan-1-ol
CID 175178383
gadolinium;tris(2-hydroxybenzoic acid)
CID 135122115
2-hydroxybenzoic acid;hydrobromide
CID 70122828
chromium;2-hydroxybenzoic acid
CID 87079476
2-hydroxybenzoic acid;praseodymium
CID 87786006
2-hydroxybenzoic acid;bis(yttrium)
CID 20697161
2-hydroxybenzoic acid;silver
CID 87326670
bis(2-hydroxybenzoic acid);sulfane
CID 172742301

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybenzoic acid;2,2,4,6,6-pentamethylpiperidine?
The IUPAC name of 2-hydroxybenzoic acid;2,2,4,6,6-pentamethylpiperidine (CID 21292179) is 2-hydroxybenzoic acid;2,2,4,6,6-pentamethylpiperidine.
What is the SMILES notation for 2-hydroxybenzoic acid;2,2,4,6,6-pentamethylpiperidine?
The canonical SMILES for 2-hydroxybenzoic acid;2,2,4,6,6-pentamethylpiperidine is CC1CC(C)(C)NC(C)(C)C1.O=C(O)c1ccccc1O.
What is the InChIKey of 2-hydroxybenzoic acid;2,2,4,6,6-pentamethylpiperidine?
The InChIKey is SXHLSDLNXWJCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C7H6O3/c1-8-6-9(2,3)11-10(4,5)7-8;8-6-4-2-1-3-5(6)7(9)10/h8,11H,6-7H2,1-5H3;1-4,8H,(H,9,10).
What are the key properties of 2-hydroxybenzoic acid;2,2,4,6,6-pentamethylpiperidine?
2-hydroxybenzoic acid;2,2,4,6,6-pentamethylpiperidine has a molecular weight of 293.41 g/mol, XLogP of 3.65, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybenzoic acid;2,2,4,6,6-pentamethylpiperidine is sourced from PubChem (CID 21292179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).