1-hydroxy-2,6-dimethyl-2,6-diphenylpiperidine-4-carboxylic acid

C20H23NO3 — CID 22340196

IUPAC1-hydroxy-2,6-dimethyl-2,6-diphenylpiperidine-4-carboxylic acid
SMILESCC1(c2ccccc2)CC(C(=O)O)CC(C)(c2ccccc2)N1O
InChIInChI=1S/C20H23NO3/c1-19(16-9-5-3-6-10-16)13-15(18(22)23)14-20(2,21(19)24)17-11-7-4-8-12-17/h3-12,15,24H,13-14H2,1-2H3,(H,22,23)
InChIKeyLXRIXWRPAUYJEU-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.00
Rot. Bonds3

About 1-hydroxy-2,6-dimethyl-2,6-diphenylpiperidine-4-carboxylic acid

1-hydroxy-2,6-dimethyl-2,6-diphenylpiperidine-4-carboxylic acid (PubChem CID 22340196) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-hydroxy-2,6-dimethyl-2,6-diphenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-2,6-dimethyl-2,6-diphenylpiperidine-4-carboxylic acid
PubChem CID22340196
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name1-hydroxy-2,6-dimethyl-2,6-diphenylpiperidine-4-carboxylic acid
SMILESCC1(c2ccccc2)CC(C(=O)O)CC(C)(c2ccccc2)N1O
InChIInChI=1S/C20H23NO3/c1-19(16-9-5-3-6-10-16)13-15(18(22)23)14-20(2,21(19)24)17-11-7-4-8-12-17/h3-12,15,24H,13-14H2,1-2H3,(H,22,23)
InChIKeyLXRIXWRPAUYJEU-UHFFFAOYSA-N
XLogP4.00
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,6-dimethyl-2,6-diphenylpiperidine-4-carboxylic acid?
The IUPAC name of 1-hydroxy-2,6-dimethyl-2,6-diphenylpiperidine-4-carboxylic acid (CID 22340196) is 1-hydroxy-2,6-dimethyl-2,6-diphenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-hydroxy-2,6-dimethyl-2,6-diphenylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-hydroxy-2,6-dimethyl-2,6-diphenylpiperidine-4-carboxylic acid is CC1(c2ccccc2)CC(C(=O)O)CC(C)(c2ccccc2)N1O.
What is the InChIKey of 1-hydroxy-2,6-dimethyl-2,6-diphenylpiperidine-4-carboxylic acid?
The InChIKey is LXRIXWRPAUYJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-19(16-9-5-3-6-10-16)13-15(18(22)23)14-20(2,21(19)24)17-11-7-4-8-12-17/h3-12,15,24H,13-14H2,1-2H3,(H,22,23).
What are the key properties of 1-hydroxy-2,6-dimethyl-2,6-diphenylpiperidine-4-carboxylic acid?
1-hydroxy-2,6-dimethyl-2,6-diphenylpiperidine-4-carboxylic acid has a molecular weight of 325.41 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,6-dimethyl-2,6-diphenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 22340196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).