1-(2-phenylethyl)piperidine-3,4-dicarboxylic acid

C15H19NO4 — CID 115918716

IUPAC1-(2-phenylethyl)piperidine-3,4-dicarboxylic acid
SMILESO=C(O)C1CCN(CCc2ccccc2)CC1C(=O)O
InChIInChI=1S/C15H19NO4/c17-14(18)12-7-9-16(10-13(12)15(19)20)8-6-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,17,18)(H,19,20)
InChIKeyCBFSWFZGBXKMGH-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.34
Rot. Bonds5

About 1-(2-phenylethyl)piperidine-3,4-dicarboxylic acid

1-(2-phenylethyl)piperidine-3,4-dicarboxylic acid (PubChem CID 115918716) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-(2-phenylethyl)piperidine-3,4-dicarboxylic acid.

Molecular Properties

Compound Name1-(2-phenylethyl)piperidine-3,4-dicarboxylic acid
PubChem CID115918716
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name1-(2-phenylethyl)piperidine-3,4-dicarboxylic acid
SMILESO=C(O)C1CCN(CCc2ccccc2)CC1C(=O)O
InChIInChI=1S/C15H19NO4/c17-14(18)12-7-9-16(10-13(12)15(19)20)8-6-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,17,18)(H,19,20)
InChIKeyCBFSWFZGBXKMGH-UHFFFAOYSA-N
XLogP1.34
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-4-hydroxy-1-(4-phenylbutyl)piperidine-3-carboxylic acid
CID 135107489
(3R,4R)-3-(4-fluorophenyl)-1-(2-phenylethyl)piperidine-4-carboxylic acid;hydrochloride
CID 71237648
1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-3,4-dicarboxylic acid
CID 103004943
1-(2-phenylethyl)pyrrolidin-3-amine
CID 18411819
(3R,4R)-1-benzyl-4-hydroxypiperidine-3-carboxylic acid
CID 70556270
(3S)-1-(2-phenylethyl)piperidine-3-carboxamide
CID 782930
[(3R)-1-(3-phenylpropyl)pyrrolidin-3-yl]carbamic acid
CID 154457780
N-[(3S,4R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 167098946
trans-(1S,2S)-2-[phenyl-[1-(2-phenylethyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 178169179
1,4-bis(2-phenylethyl)piperidine
CID 86059939
1-(3-hydroxypropyl)piperidine-3,4-dicarboxylic acid
CID 112568235
1-benzyl-5-hydroxyazepane-4-carboxylic acid
CID 83488362

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)piperidine-3,4-dicarboxylic acid?
The IUPAC name of 1-(2-phenylethyl)piperidine-3,4-dicarboxylic acid (CID 115918716) is 1-(2-phenylethyl)piperidine-3,4-dicarboxylic acid.
What is the SMILES notation for 1-(2-phenylethyl)piperidine-3,4-dicarboxylic acid?
The canonical SMILES for 1-(2-phenylethyl)piperidine-3,4-dicarboxylic acid is O=C(O)C1CCN(CCc2ccccc2)CC1C(=O)O.
What is the InChIKey of 1-(2-phenylethyl)piperidine-3,4-dicarboxylic acid?
The InChIKey is CBFSWFZGBXKMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c17-14(18)12-7-9-16(10-13(12)15(19)20)8-6-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,17,18)(H,19,20).
What are the key properties of 1-(2-phenylethyl)piperidine-3,4-dicarboxylic acid?
1-(2-phenylethyl)piperidine-3,4-dicarboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)piperidine-3,4-dicarboxylic acid is sourced from PubChem (CID 115918716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).