[(2R,3R,4S)-2,3-dimethyl-1-(2-phenylethyl)piperidin-4-yl] acetate

C17H25NO2 — CID 715185

IUPAC[(2R,3R,4S)-2,3-dimethyl-1-(2-phenylethyl)piperidin-4-yl] acetate
SMILESCC(=O)O[C@H]1CCN(CCc2ccccc2)[C@H](C)[C@H]1C
InChIInChI=1S/C17H25NO2/c1-13-14(2)18(12-10-17(13)20-15(3)19)11-9-16-7-5-4-6-8-16/h4-8,13-14,17H,9-12H2,1-3H3/t13-,14-,17+/m1/s1
InChIKeyYNNDIBSJMPQCKB-CPUCHLNUSA-N
MW275.39 g/mol
LogP2.89
Rot. Bonds4

About [(2R,3R,4S)-2,3-dimethyl-1-(2-phenylethyl)piperidin-4-yl] acetate

[(2R,3R,4S)-2,3-dimethyl-1-(2-phenylethyl)piperidin-4-yl] acetate (PubChem CID 715185) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is [(2R,3R,4S)-2,3-dimethyl-1-(2-phenylethyl)piperidin-4-yl] acetate.

Molecular Properties

Compound Name[(2R,3R,4S)-2,3-dimethyl-1-(2-phenylethyl)piperidin-4-yl] acetate
PubChem CID715185
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name[(2R,3R,4S)-2,3-dimethyl-1-(2-phenylethyl)piperidin-4-yl] acetate
SMILESCC(=O)O[C@H]1CCN(CCc2ccccc2)[C@H](C)[C@H]1C
InChIInChI=1S/C17H25NO2/c1-13-14(2)18(12-10-17(13)20-15(3)19)11-9-16-7-5-4-6-8-16/h4-8,13-14,17H,9-12H2,1-3H3/t13-,14-,17+/m1/s1
InChIKeyYNNDIBSJMPQCKB-CPUCHLNUSA-N
XLogP2.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(2R,3R,4S)-2,3-dimethyl-1-(2-phenylethyl)piperidin-4-yl] 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

[(2S,3R,4S)-1-benzyl-2,3-dimethylpiperidin-4-yl] acetate
CID 715182
methyl 1-(2-phenylethyl)azetidine-2-carboxylate
CID 4196688
(2-acetyloxy-1-benzylpyrrolidin-3-yl) acetate
CID 69107040
(2S)-1-(2-phenylethyl)azetidine-2-carboxylic acid
CID 20637841
2,3-dimethyl-1-(2-phenylethyl)-N-propylpiperidin-4-amine
CID 79398266
[(2R,3R,4S,6R)-3-methyl-2-phenyl-6-(2-phenylethyl)oxan-4-yl] acetate
CID 101271158
1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79370835
2,3-dimethyl-1-(3-phenylpropyl)piperidin-4-amine
CID 79397057
1-[1-(2-phenylethyl)pyrrolidin-2-yl]propan-2-one
CID 79546481
[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl] acetate
CID 122691367
1-[1-(2-phenylethyl)piperidin-4-yl]propan-2-one
CID 91066531
methyl (2S)-1-benzylazetidine-2-carboxylate
CID 12727480

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S)-2,3-dimethyl-1-(2-phenylethyl)piperidin-4-yl] acetate?
The IUPAC name of [(2R,3R,4S)-2,3-dimethyl-1-(2-phenylethyl)piperidin-4-yl] acetate (CID 715185) is [(2R,3R,4S)-2,3-dimethyl-1-(2-phenylethyl)piperidin-4-yl] acetate.
What is the SMILES notation for [(2R,3R,4S)-2,3-dimethyl-1-(2-phenylethyl)piperidin-4-yl] acetate?
The canonical SMILES for [(2R,3R,4S)-2,3-dimethyl-1-(2-phenylethyl)piperidin-4-yl] acetate is CC(=O)O[C@H]1CCN(CCc2ccccc2)[C@H](C)[C@H]1C.
What is the InChIKey of [(2R,3R,4S)-2,3-dimethyl-1-(2-phenylethyl)piperidin-4-yl] acetate?
The InChIKey is YNNDIBSJMPQCKB-CPUCHLNUSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13-14(2)18(12-10-17(13)20-15(3)19)11-9-16-7-5-4-6-8-16/h4-8,13-14,17H,9-12H2,1-3H3/t13-,14-,17+/m1/s1.
What are the key properties of [(2R,3R,4S)-2,3-dimethyl-1-(2-phenylethyl)piperidin-4-yl] acetate?
[(2R,3R,4S)-2,3-dimethyl-1-(2-phenylethyl)piperidin-4-yl] acetate has a molecular weight of 275.39 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S)-2,3-dimethyl-1-(2-phenylethyl)piperidin-4-yl] acetate is sourced from PubChem (CID 715185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).