(2R,6S)-1-(2-phenylethyl)piperidine-2,6-dicarboxylic acid

C15H19NO4 — CID 174568694

IUPAC(2R,6S)-1-(2-phenylethyl)piperidine-2,6-dicarboxylic acid
SMILESO=C(O)[C@H]1CCC[C@@H](C(=O)O)N1CCc1ccccc1
InChIInChI=1S/C15H19NO4/c17-14(18)12-7-4-8-13(15(19)20)16(12)10-9-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,17,18)(H,19,20)/t12-,13+
InChIKeyDAXDVYJBGVADDO-BETUJISGSA-N
MW277.32 g/mol
LogP1.62
Rot. Bonds5

About (2R,6S)-1-(2-phenylethyl)piperidine-2,6-dicarboxylic acid

(2R,6S)-1-(2-phenylethyl)piperidine-2,6-dicarboxylic acid (PubChem CID 174568694) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is (2R,6S)-1-(2-phenylethyl)piperidine-2,6-dicarboxylic acid.

Molecular Properties

Compound Name(2R,6S)-1-(2-phenylethyl)piperidine-2,6-dicarboxylic acid
PubChem CID174568694
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name(2R,6S)-1-(2-phenylethyl)piperidine-2,6-dicarboxylic acid
SMILESO=C(O)[C@H]1CCC[C@@H](C(=O)O)N1CCc1ccccc1
InChIInChI=1S/C15H19NO4/c17-14(18)12-7-4-8-13(15(19)20)16(12)10-9-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,17,18)(H,19,20)/t12-,13+
InChIKeyDAXDVYJBGVADDO-BETUJISGSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzylpiperidine-2,6-dicarboxylic acid;hydrochloride
CID 67045968
(2S)-1-(2-phenylethyl)azetidine-2-carboxylic acid
CID 20637841
(2S)-1-benzylpyrrolidine-2,5-dicarboxylic acid
CID 175511692
2,2-dimethyl-1-(2-phenylethyl)piperidine-3-carboxylic acid
CID 117019433
(3R)-2-(2-phenylethyl)-2-azabicyclo[2.2.2]oct-5-ene-3-carboxylic acid
CID 118951531
(2S)-1-(2-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 28509967
(2S)-1-(4-phenylbutanoyl)piperidine-2-carboxylic acid
CID 15080754
methyl 1-(2-phenylethyl)azetidine-2-carboxylate
CID 4196688
1-(1-methylpyrrolidin-2-yl)-2-phenylethanone
CID 129033929
2-(2-phenylethyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 17359933
N-methyl-9-(2-phenylethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 55105936
(2S)-1-[3-(2-phenylethyldisulfanyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 54508077

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-1-(2-phenylethyl)piperidine-2,6-dicarboxylic acid?
The IUPAC name of (2R,6S)-1-(2-phenylethyl)piperidine-2,6-dicarboxylic acid (CID 174568694) is (2R,6S)-1-(2-phenylethyl)piperidine-2,6-dicarboxylic acid.
What is the SMILES notation for (2R,6S)-1-(2-phenylethyl)piperidine-2,6-dicarboxylic acid?
The canonical SMILES for (2R,6S)-1-(2-phenylethyl)piperidine-2,6-dicarboxylic acid is O=C(O)[C@H]1CCC[C@@H](C(=O)O)N1CCc1ccccc1.
What is the InChIKey of (2R,6S)-1-(2-phenylethyl)piperidine-2,6-dicarboxylic acid?
The InChIKey is DAXDVYJBGVADDO-BETUJISGSA-N. The full InChI is InChI=1S/C15H19NO4/c17-14(18)12-7-4-8-13(15(19)20)16(12)10-9-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,17,18)(H,19,20)/t12-,13+.
What are the key properties of (2R,6S)-1-(2-phenylethyl)piperidine-2,6-dicarboxylic acid?
(2R,6S)-1-(2-phenylethyl)piperidine-2,6-dicarboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-1-(2-phenylethyl)piperidine-2,6-dicarboxylic acid is sourced from PubChem (CID 174568694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).