piperidin-4-yl (2R)-2-amino-3-phenylpropanoate

C14H20N2O2 — CID 173188794

IUPACpiperidin-4-yl (2R)-2-amino-3-phenylpropanoate
SMILESN[C@H](Cc1ccccc1)C(=O)OC1CCNCC1
InChIInChI=1S/C14H20N2O2/c15-13(10-11-4-2-1-3-5-11)14(17)18-12-6-8-16-9-7-12/h1-5,12-13,16H,6-10,15H2/t13-/m1/s1
InChIKeyZOTJOSVZZHOHAP-CYBMUJFWSA-N
MW248.33 g/mol
LogP0.85
Rot. Bonds4

About piperidin-4-yl (2R)-2-amino-3-phenylpropanoate

piperidin-4-yl (2R)-2-amino-3-phenylpropanoate (PubChem CID 173188794) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is piperidin-4-yl (2R)-2-amino-3-phenylpropanoate.

Molecular Properties

Compound Namepiperidin-4-yl (2R)-2-amino-3-phenylpropanoate
PubChem CID173188794
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Namepiperidin-4-yl (2R)-2-amino-3-phenylpropanoate
SMILESN[C@H](Cc1ccccc1)C(=O)OC1CCNCC1
InChIInChI=1S/C14H20N2O2/c15-13(10-11-4-2-1-3-5-11)14(17)18-12-6-8-16-9-7-12/h1-5,12-13,16H,6-10,15H2/t13-/m1/s1
InChIKeyZOTJOSVZZHOHAP-CYBMUJFWSA-N
XLogP0.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze piperidin-4-yl (2R)-2-amino-3-phenylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclobutyl (2R)-2-amino-3-phenylpropanoate
CID 104902268
cyclooctyl (2S)-2-amino-3-phenylpropanoate
CID 155077382
cyclodecyl (2S)-2-amino-3-phenylpropanoate
CID 166650895
cyclobutyl 2-amino-3-phenylpropanoate;hydrochloride
CID 69387169
(4,4-dimethylcyclohexyl) 2-amino-3-phenylpropanoate
CID 114341404
2-phenyl-1-piperidin-4-yloxyethanol
CID 70594115
(2,5-dioxopyrrolidin-3-yl) (2S)-2-amino-3-phenylpropanoate
CID 67794422
CID 175525029
CID 175525029
piperidin-4-yl (2S)-2-amino-4-methylpentanoate;dihydrochloride
CID 173188799
[(2S)-2-amino-3-(4-fluorophenyl)propanoyl] (2S)-2-amino-3-phenylpropanoate
CID 57161238
cyclohexylmethyl 2-amino-3-phenylpropanoate
CID 62383262
(2S)-2-amino-3-[4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxycyclohexyl]propanoic acid
CID 70505446

Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl (2R)-2-amino-3-phenylpropanoate?
The IUPAC name of piperidin-4-yl (2R)-2-amino-3-phenylpropanoate (CID 173188794) is piperidin-4-yl (2R)-2-amino-3-phenylpropanoate.
What is the SMILES notation for piperidin-4-yl (2R)-2-amino-3-phenylpropanoate?
The canonical SMILES for piperidin-4-yl (2R)-2-amino-3-phenylpropanoate is N[C@H](Cc1ccccc1)C(=O)OC1CCNCC1.
What is the InChIKey of piperidin-4-yl (2R)-2-amino-3-phenylpropanoate?
The InChIKey is ZOTJOSVZZHOHAP-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-13(10-11-4-2-1-3-5-11)14(17)18-12-6-8-16-9-7-12/h1-5,12-13,16H,6-10,15H2/t13-/m1/s1.
What are the key properties of piperidin-4-yl (2R)-2-amino-3-phenylpropanoate?
piperidin-4-yl (2R)-2-amino-3-phenylpropanoate has a molecular weight of 248.33 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl (2R)-2-amino-3-phenylpropanoate is sourced from PubChem (CID 173188794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).