[3-[(2R)-piperidin-2-yl]phenyl] acetate

C13H17NO2 — CID 131481230

IUPAC[3-[(2R)-piperidin-2-yl]phenyl] acetate
SMILESCC(=O)Oc1cccc([C@H]2CCCCN2)c1
InChIInChI=1S/C13H17NO2/c1-10(15)16-12-6-4-5-11(9-12)13-7-2-3-8-14-13/h4-6,9,13-14H,2-3,7-8H2,1H3/t13-/m1/s1
InChIKeyNYMVCGVPUOXMFW-CYBMUJFWSA-N
MW219.28 g/mol
LogP2.43
Rot. Bonds2

About [3-[(2R)-piperidin-2-yl]phenyl] acetate

[3-[(2R)-piperidin-2-yl]phenyl] acetate (PubChem CID 131481230) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is [3-[(2R)-piperidin-2-yl]phenyl] acetate.

Molecular Properties

Compound Name[3-[(2R)-piperidin-2-yl]phenyl] acetate
PubChem CID131481230
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name[3-[(2R)-piperidin-2-yl]phenyl] acetate
SMILESCC(=O)Oc1cccc([C@H]2CCCCN2)c1
InChIInChI=1S/C13H17NO2/c1-10(15)16-12-6-4-5-11(9-12)13-7-2-3-8-14-13/h4-6,9,13-14H,2-3,7-8H2,1H3/t13-/m1/s1
InChIKeyNYMVCGVPUOXMFW-CYBMUJFWSA-N
XLogP2.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [3-[(2R)-piperidin-2-yl]phenyl] acetate 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

acetic acid;(3-piperidin-2-ylphenyl) acetate
CID 162323742
[3-[(2S)-piperazin-2-yl]phenyl] acetate
CID 171193886
[2-methoxy-4-[(2S)-piperidin-2-yl]phenyl] acetate;hydrochloride
CID 171195107
methyl 3-piperidin-2-ylbenzoate;hydrochloride
CID 91798908
3-[(2S)-piperidin-2-yl]phenol
CID 55277853
N-[3-[(2S)-pyrrolidin-2-yl]phenyl]acetamide
CID 66518494
3-[(2S)-piperidin-2-yl]benzamide;hydrochloride
CID 154574752
acetic acid;3-piperidin-2-ylpyridine
CID 175134059
(2R)-2-(3-methylphenyl)azepane
CID 7048257
[3-[(3R,4S)-3-methylpiperidin-4-yl]phenyl] acetate
CID 89088959
1-(3-piperidin-2-ylphenyl)ethanol
CID 117116288
2-[3-(2-methylpropoxy)phenyl]pyrrolidine
CID 77131627

Frequently Asked Questions

What is the IUPAC name of [3-[(2R)-piperidin-2-yl]phenyl] acetate?
The IUPAC name of [3-[(2R)-piperidin-2-yl]phenyl] acetate (CID 131481230) is [3-[(2R)-piperidin-2-yl]phenyl] acetate.
What is the SMILES notation for [3-[(2R)-piperidin-2-yl]phenyl] acetate?
The canonical SMILES for [3-[(2R)-piperidin-2-yl]phenyl] acetate is CC(=O)Oc1cccc([C@H]2CCCCN2)c1.
What is the InChIKey of [3-[(2R)-piperidin-2-yl]phenyl] acetate?
The InChIKey is NYMVCGVPUOXMFW-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10(15)16-12-6-4-5-11(9-12)13-7-2-3-8-14-13/h4-6,9,13-14H,2-3,7-8H2,1H3/t13-/m1/s1.
What are the key properties of [3-[(2R)-piperidin-2-yl]phenyl] acetate?
[3-[(2R)-piperidin-2-yl]phenyl] acetate has a molecular weight of 219.28 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2R)-piperidin-2-yl]phenyl] acetate is sourced from PubChem (CID 131481230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).