1-methyl-4-phenylpiperidine-2,3-dicarboxylic acid

C14H17NO4 — CID 71398204

IUPAC1-methyl-4-phenylpiperidine-2,3-dicarboxylic acid
SMILESCN1CCC(c2ccccc2)C(C(=O)O)C1C(=O)O
InChIInChI=1S/C14H17NO4/c1-15-8-7-10(9-5-3-2-4-6-9)11(13(16)17)12(15)14(18)19/h2-6,10-12H,7-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyGYXCPXFIZHSTTD-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.26
Rot. Bonds3

About 1-methyl-4-phenylpiperidine-2,3-dicarboxylic acid

1-methyl-4-phenylpiperidine-2,3-dicarboxylic acid (PubChem CID 71398204) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 1-methyl-4-phenylpiperidine-2,3-dicarboxylic acid.

Molecular Properties

Compound Name1-methyl-4-phenylpiperidine-2,3-dicarboxylic acid
PubChem CID71398204
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name1-methyl-4-phenylpiperidine-2,3-dicarboxylic acid
SMILESCN1CCC(c2ccccc2)C(C(=O)O)C1C(=O)O
InChIInChI=1S/C14H17NO4/c1-15-8-7-10(9-5-3-2-4-6-9)11(13(16)17)12(15)14(18)19/h2-6,10-12H,7-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyGYXCPXFIZHSTTD-UHFFFAOYSA-N
XLogP1.26
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-1,2-dimethyl-4-naphthalen-2-ylpiperidine-3-carboxylic acid
CID 68654438
1-methyl-2-phenylpyrrolidine-3-carboxylic acid
CID 71778186
1-methyl-2-phenylpyrrolidine-3-carboxylic acid;hydrochloride
CID 122360453
1-[(2-methylpropan-2-yl)oxycarbonyl]-3-phenylpyrrolidine-2-carboxylic acid
CID 4712514
(2S,4R)-1-methyl-4-phenylpiperidine-2-carboxylic acid;hydrochloride
CID 178190208
1-methyl-2-phenylazetidine
CID 576373
(2S,3R)-1-methyl-2-phenylpiperidine-3-carboxylic acid
CID 67820250
1-methyl-3-phenylpiperidin-4-ol;hydrochloride
CID 70615066
(2S,3R)-3-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 102266655
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
[(4R,4aR,9aR)-1-methyl-4-phenyl-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrido[3,2-b]azepin-5-yl]-pyridin-2-ylmethanone
CID 92608744
2-(2-methyl-3-phenylpyrrolidin-1-yl)propanoic acid
CID 119150831

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenylpiperidine-2,3-dicarboxylic acid?
The IUPAC name of 1-methyl-4-phenylpiperidine-2,3-dicarboxylic acid (CID 71398204) is 1-methyl-4-phenylpiperidine-2,3-dicarboxylic acid.
What is the SMILES notation for 1-methyl-4-phenylpiperidine-2,3-dicarboxylic acid?
The canonical SMILES for 1-methyl-4-phenylpiperidine-2,3-dicarboxylic acid is CN1CCC(c2ccccc2)C(C(=O)O)C1C(=O)O.
What is the InChIKey of 1-methyl-4-phenylpiperidine-2,3-dicarboxylic acid?
The InChIKey is GYXCPXFIZHSTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-15-8-7-10(9-5-3-2-4-6-9)11(13(16)17)12(15)14(18)19/h2-6,10-12H,7-8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 1-methyl-4-phenylpiperidine-2,3-dicarboxylic acid?
1-methyl-4-phenylpiperidine-2,3-dicarboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenylpiperidine-2,3-dicarboxylic acid is sourced from PubChem (CID 71398204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).