2-phenyl-2-(2,3,5-trimethylpiperidin-1-yl)acetic acid

C16H23NO2 — CID 114593984

IUPAC2-phenyl-2-(2,3,5-trimethylpiperidin-1-yl)acetic acid
SMILESCC1CC(C)C(C)N(C(C(=O)O)c2ccccc2)C1
InChIInChI=1S/C16H23NO2/c1-11-9-12(2)13(3)17(10-11)15(16(18)19)14-7-5-4-6-8-14/h4-8,11-13,15H,9-10H2,1-3H3,(H,18,19)
InChIKeyAISZQXIZTNDVQJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.18
Rot. Bonds3

About 2-phenyl-2-(2,3,5-trimethylpiperidin-1-yl)acetic acid

2-phenyl-2-(2,3,5-trimethylpiperidin-1-yl)acetic acid (PubChem CID 114593984) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-phenyl-2-(2,3,5-trimethylpiperidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-phenyl-2-(2,3,5-trimethylpiperidin-1-yl)acetic acid
PubChem CID114593984
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-phenyl-2-(2,3,5-trimethylpiperidin-1-yl)acetic acid
SMILESCC1CC(C)C(C)N(C(C(=O)O)c2ccccc2)C1
InChIInChI=1S/C16H23NO2/c1-11-9-12(2)13(3)17(10-11)15(16(18)19)14-7-5-4-6-8-14/h4-8,11-13,15H,9-10H2,1-3H3,(H,18,19)
InChIKeyAISZQXIZTNDVQJ-UHFFFAOYSA-N
XLogP3.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylpiperidin-1-yl)-2-phenylacetic acid chloride
CID 53350421
(2R)-2-[(2R)-2-methylpiperidin-1-yl]-2-phenylacetic acid
CID 1091381
2-(2,4-dimethyl-1,4-diazepan-1-yl)-2-phenylacetic acid
CID 114087291
2-(3,5-dimethylpiperidin-1-yl)-2-phenylacetohydrazide
CID 63568815
2-(3-methylmorpholin-4-yl)-2-phenylacetic acid
CID 43542338
(2S)-N-cyclopropyl-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylacetamide
CID 51887029
1-(4-methylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-one
CID 114594148
1-phenyl-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
CID 114592777
2-methyl-1-phenyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-one
CID 114596662
2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-phenylacetic acid
CID 83220867
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one
CID 7322462
(2S)-N-cyclohexyl-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylacetamide
CID 94778967

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(2,3,5-trimethylpiperidin-1-yl)acetic acid?
The IUPAC name of 2-phenyl-2-(2,3,5-trimethylpiperidin-1-yl)acetic acid (CID 114593984) is 2-phenyl-2-(2,3,5-trimethylpiperidin-1-yl)acetic acid.
What is the SMILES notation for 2-phenyl-2-(2,3,5-trimethylpiperidin-1-yl)acetic acid?
The canonical SMILES for 2-phenyl-2-(2,3,5-trimethylpiperidin-1-yl)acetic acid is CC1CC(C)C(C)N(C(C(=O)O)c2ccccc2)C1.
What is the InChIKey of 2-phenyl-2-(2,3,5-trimethylpiperidin-1-yl)acetic acid?
The InChIKey is AISZQXIZTNDVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-9-12(2)13(3)17(10-11)15(16(18)19)14-7-5-4-6-8-14/h4-8,11-13,15H,9-10H2,1-3H3,(H,18,19).
What are the key properties of 2-phenyl-2-(2,3,5-trimethylpiperidin-1-yl)acetic acid?
2-phenyl-2-(2,3,5-trimethylpiperidin-1-yl)acetic acid has a molecular weight of 261.37 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(2,3,5-trimethylpiperidin-1-yl)acetic acid is sourced from PubChem (CID 114593984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).