(2R,4S)-1-[(2,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-2-carboxylic acid

C15H21NO5 — CID 50970711

IUPAC(2R,4S)-1-[(2,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-2-carboxylic acid
SMILESCOc1ccc(CN2CC[C@H](O)C[C@@H]2C(=O)O)c(OC)c1
InChIInChI=1S/C15H21NO5/c1-20-12-4-3-10(14(8-12)21-2)9-16-6-5-11(17)7-13(16)15(18)19/h3-4,8,11,13,17H,5-7,9H2,1-2H3,(H,18,19)/t11-,13+/m0/s1
InChIKeyUFTWRJINCLQPPJ-WCQYABFASA-N
MW295.34 g/mol
LogP1.11
Rot. Bonds5

About (2R,4S)-1-[(2,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-2-carboxylic acid

(2R,4S)-1-[(2,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-2-carboxylic acid (PubChem CID 50970711) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is (2R,4S)-1-[(2,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-1-[(2,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-2-carboxylic acid
PubChem CID50970711
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Name(2R,4S)-1-[(2,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-2-carboxylic acid
SMILESCOc1ccc(CN2CC[C@H](O)C[C@@H]2C(=O)O)c(OC)c1
InChIInChI=1S/C15H21NO5/c1-20-12-4-3-10(14(8-12)21-2)9-16-6-5-11(17)7-13(16)15(18)19/h3-4,8,11,13,17H,5-7,9H2,1-2H3,(H,18,19)/t11-,13+/m0/s1
InChIKeyUFTWRJINCLQPPJ-WCQYABFASA-N
XLogP1.11
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4R)-1-[2-(2,5-dimethoxyphenyl)acetyl]-4-hydroxypiperidine-2-carboxylic acid
CID 133123508
1-[(2,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106745083
methyl (2R,4S)-4-hydroxy-1-[(4-methoxynaphthalen-1-yl)methyl]piperidine-2-carboxylate
CID 50966992
(2R,4S)-4-hydroxy-1-[(8-methoxyquinolin-2-yl)methyl]piperidine-2-carboxylic acid
CID 50964999
1-[(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine;oxalic acid
CID 171151305
(2R,4S)-1-[(5-chloro-2-hydroxyphenyl)methyl]-4-hydroxypiperidine-2-carboxylic acid
CID 50955470
1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 122036642
(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-ol
CID 754063
1-[(4-methoxy-2,3-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3998216
1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 11254461
4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 114430849
4-ethyl-1-[(3-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 114431427

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-1-[(2,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-2-carboxylic acid?
The IUPAC name of (2R,4S)-1-[(2,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-2-carboxylic acid (CID 50970711) is (2R,4S)-1-[(2,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-2-carboxylic acid.
What is the SMILES notation for (2R,4S)-1-[(2,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-2-carboxylic acid?
The canonical SMILES for (2R,4S)-1-[(2,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-2-carboxylic acid is COc1ccc(CN2CC[C@H](O)C[C@@H]2C(=O)O)c(OC)c1.
What is the InChIKey of (2R,4S)-1-[(2,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-2-carboxylic acid?
The InChIKey is UFTWRJINCLQPPJ-WCQYABFASA-N. The full InChI is InChI=1S/C15H21NO5/c1-20-12-4-3-10(14(8-12)21-2)9-16-6-5-11(17)7-13(16)15(18)19/h3-4,8,11,13,17H,5-7,9H2,1-2H3,(H,18,19)/t11-,13+/m0/s1.
What are the key properties of (2R,4S)-1-[(2,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-2-carboxylic acid?
(2R,4S)-1-[(2,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-2-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-1-[(2,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-2-carboxylic acid is sourced from PubChem (CID 50970711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).