1-[(2-hydroxy-5-phenylphenyl)methyl]piperidine-4-carboxylic acid

C19H21NO3 — CID 166237351

IUPAC1-[(2-hydroxy-5-phenylphenyl)methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2cc(-c3ccccc3)ccc2O)CC1
InChIInChI=1S/C19H21NO3/c21-18-7-6-16(14-4-2-1-3-5-14)12-17(18)13-20-10-8-15(9-11-20)19(22)23/h1-7,12,15,21H,8-11,13H2,(H,22,23)
InChIKeyBLCYUZDYHQBJBJ-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.36
Rot. Bonds4

About 1-[(2-hydroxy-5-phenylphenyl)methyl]piperidine-4-carboxylic acid

1-[(2-hydroxy-5-phenylphenyl)methyl]piperidine-4-carboxylic acid (PubChem CID 166237351) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-[(2-hydroxy-5-phenylphenyl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-hydroxy-5-phenylphenyl)methyl]piperidine-4-carboxylic acid
PubChem CID166237351
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name1-[(2-hydroxy-5-phenylphenyl)methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2cc(-c3ccccc3)ccc2O)CC1
InChIInChI=1S/C19H21NO3/c21-18-7-6-16(14-4-2-1-3-5-14)12-17(18)13-20-10-8-15(9-11-20)19(22)23/h1-7,12,15,21H,8-11,13H2,(H,22,23)
InChIKeyBLCYUZDYHQBJBJ-UHFFFAOYSA-N
XLogP3.36
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-[(4-phenylphenyl)methyl]piperidine-4-carboxylate
CID 164771735
1-[(2-cyclopropylphenyl)methyl]piperidine-4-carboxylic acid
CID 79982598
[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone;oxalic acid
CID 44828315
1-[(2-nitrophenyl)methyl]piperidine-4-carboxylic acid
CID 3450780
2-[(4-phenylpiperidin-1-yl)methyl]-4-pyridin-2-ylphenol
CID 135906345
1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 75501255
3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]propanoic acid
CID 65062691
1-[(5-chloro-2-hydroxyphenyl)methyl]azetidine-3-carboxylic acid
CID 65071786
1-[(3-carboxyphenyl)methyl]piperidine-4-carboxylic acid
CID 82162737
1-[[1-(carboxymethyl)-5-hydroxy-4-oxo-2-pyridinyl]methyl]piperidine-4-carboxylic acid
CID 94959672
1-(2-chloro-5-phenylbenzoyl)piperidine-4-carboxylic acid
CID 119349827
1-[(4-phenoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3912866

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-5-phenylphenyl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(2-hydroxy-5-phenylphenyl)methyl]piperidine-4-carboxylic acid (CID 166237351) is 1-[(2-hydroxy-5-phenylphenyl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2-hydroxy-5-phenylphenyl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2-hydroxy-5-phenylphenyl)methyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(Cc2cc(-c3ccccc3)ccc2O)CC1.
What is the InChIKey of 1-[(2-hydroxy-5-phenylphenyl)methyl]piperidine-4-carboxylic acid?
The InChIKey is BLCYUZDYHQBJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c21-18-7-6-16(14-4-2-1-3-5-14)12-17(18)13-20-10-8-15(9-11-20)19(22)23/h1-7,12,15,21H,8-11,13H2,(H,22,23).
What are the key properties of 1-[(2-hydroxy-5-phenylphenyl)methyl]piperidine-4-carboxylic acid?
1-[(2-hydroxy-5-phenylphenyl)methyl]piperidine-4-carboxylic acid has a molecular weight of 311.38 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-5-phenylphenyl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 166237351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).