3-[(2R)-2-benzylpiperidin-1-yl]propanoic acid

C15H21NO2 — CID 97214231

IUPAC3-[(2R)-2-benzylpiperidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCCC[C@@H]1Cc1ccccc1
InChIInChI=1S/C15H21NO2/c17-15(18)9-11-16-10-5-4-8-14(16)12-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H,17,18)/t14-/m1/s1
InChIKeyCUQUKODVZFIOCW-CQSZACIVSA-N
MW247.34 g/mol
LogP2.56
Rot. Bonds5

About 3-[(2R)-2-benzylpiperidin-1-yl]propanoic acid

3-[(2R)-2-benzylpiperidin-1-yl]propanoic acid (PubChem CID 97214231) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-[(2R)-2-benzylpiperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2R)-2-benzylpiperidin-1-yl]propanoic acid
PubChem CID97214231
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-[(2R)-2-benzylpiperidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCCC[C@@H]1Cc1ccccc1
InChIInChI=1S/C15H21NO2/c17-15(18)9-11-16-10-5-4-8-14(16)12-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H,17,18)/t14-/m1/s1
InChIKeyCUQUKODVZFIOCW-CQSZACIVSA-N
XLogP2.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-benzylpiperidin-1-yl]propanoic acid?
The IUPAC name of 3-[(2R)-2-benzylpiperidin-1-yl]propanoic acid (CID 97214231) is 3-[(2R)-2-benzylpiperidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[(2R)-2-benzylpiperidin-1-yl]propanoic acid?
The canonical SMILES for 3-[(2R)-2-benzylpiperidin-1-yl]propanoic acid is O=C(O)CCN1CCCC[C@@H]1Cc1ccccc1.
What is the InChIKey of 3-[(2R)-2-benzylpiperidin-1-yl]propanoic acid?
The InChIKey is CUQUKODVZFIOCW-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21NO2/c17-15(18)9-11-16-10-5-4-8-14(16)12-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H,17,18)/t14-/m1/s1.
What are the key properties of 3-[(2R)-2-benzylpiperidin-1-yl]propanoic acid?
3-[(2R)-2-benzylpiperidin-1-yl]propanoic acid has a molecular weight of 247.34 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-benzylpiperidin-1-yl]propanoic acid is sourced from PubChem (CID 97214231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).