3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]propanoic acid

C15H21NO3 — CID 65062691

IUPAC3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(Cc2ccccc2O)CC1
InChIInChI=1S/C15H21NO3/c17-14-4-2-1-3-13(14)11-16-9-7-12(8-10-16)5-6-15(18)19/h1-4,12,17H,5-11H2,(H,18,19)
InChIKeyOGCCDAHZQJEDJQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.47
Rot. Bonds5

About 3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]propanoic acid

3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]propanoic acid (PubChem CID 65062691) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]propanoic acid
PubChem CID65062691
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(Cc2ccccc2O)CC1
InChIInChI=1S/C15H21NO3/c17-14-4-2-1-3-13(14)11-16-9-7-12(8-10-16)5-6-15(18)19/h1-4,12,17H,5-11H2,(H,18,19)
InChIKeyOGCCDAHZQJEDJQ-UHFFFAOYSA-N
XLogP2.47
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.47
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

3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-phenylpropanamide
CID 42210371
3-(1-benzylazepan-4-yl)propanoic acid
CID 82624039
3-[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-4-yl]propanoic acid
CID 114866899
3-[1-[(3-chloro-4-hydroxyphenyl)methyl]piperidin-4-yl]propanoic acid
CID 65062881
3-[1-[(4-iodophenyl)methyl]piperidin-4-yl]propanoic acid
CID 65477435
3-[1-(2-hydroxybenzoyl)piperidin-4-yl]propanoic acid
CID 62216443
3-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]propanoic acid
CID 62216848
3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 42525374
3-[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]propanoic acid
CID 65060027
3-[1-[(3-bromophenyl)methyl]piperidin-4-yl]propanoic acid
CID 62217880
3-[1-(3-phenylprop-2-enyl)piperidin-4-yl]propanoic acid
CID 76937513
3-[1-[(3,5-dimethylphenyl)methyl]piperidin-4-yl]propanoic acid
CID 62216017

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]propanoic acid (CID 65062691) is 3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]propanoic acid is O=C(O)CCC1CCN(Cc2ccccc2O)CC1.
What is the InChIKey of 3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]propanoic acid?
The InChIKey is OGCCDAHZQJEDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c17-14-4-2-1-3-13(14)11-16-9-7-12(8-10-16)5-6-15(18)19/h1-4,12,17H,5-11H2,(H,18,19).
What are the key properties of 3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]propanoic acid?
3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]propanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]propanoic acid is sourced from PubChem (CID 65062691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).