[(3R,4R)-1,3-dimethyl-4-phenylpiperidin-4-yl] propanoate

C16H23NO2 — CID 5284516

IUPAC[(3R,4R)-1,3-dimethyl-4-phenylpiperidin-4-yl] propanoate
SMILESCCC(=O)O[C@]1(c2ccccc2)CCN(C)C[C@H]1C
InChIInChI=1S/C16H23NO2/c1-4-15(18)19-16(14-8-6-5-7-9-14)10-11-17(3)12-13(16)2/h5-9,13H,4,10-12H2,1-3H3/t13-,16-/m1/s1
InChIKeyUVAZQQHAVMNMHE-CZUORRHYSA-N
MW261.37 g/mol
LogP2.81
Rot. Bonds3

About [(3R,4R)-1,3-dimethyl-4-phenylpiperidin-4-yl] propanoate

[(3R,4R)-1,3-dimethyl-4-phenylpiperidin-4-yl] propanoate (PubChem CID 5284516) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is [(3R,4R)-1,3-dimethyl-4-phenylpiperidin-4-yl] propanoate.

Molecular Properties

Compound Name[(3R,4R)-1,3-dimethyl-4-phenylpiperidin-4-yl] propanoate
PubChem CID5284516
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name[(3R,4R)-1,3-dimethyl-4-phenylpiperidin-4-yl] propanoate
SMILESCCC(=O)O[C@]1(c2ccccc2)CCN(C)C[C@H]1C
InChIInChI=1S/C16H23NO2/c1-4-15(18)19-16(14-8-6-5-7-9-14)10-11-17(3)12-13(16)2/h5-9,13H,4,10-12H2,1-3H3/t13-,16-/m1/s1
InChIKeyUVAZQQHAVMNMHE-CZUORRHYSA-N
XLogP2.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Diphenylpyraline
CID 3103
Propoxyphene
CID 10100
Alphaprodine
CID 120738
Dextropropoxyphene Hydrochloride
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Propiverine
CID 4942
Levopropoxyphene
CID 200742
1-(-2-Phenethyl)-4-phenyl-4-acetoxypiperidine
CID 60977
4-Piperidinol, 1,3-dimethyl-4-phenyl-, 4-propanoate, hydrochloride (1:1), (3R,4S)-rel-
CID 120737
4-propionyloxy-4-phenyl-N-methylpiperidine
CID 61583
Benzeneethanol, alpha-(2-(dimethylamino)-1-methylethyl)-alpha-phenyl-, 1-propanoate
CID 15330
Darvon
CID 15329
Trimeperidine
CID 20055107

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1,3-dimethyl-4-phenylpiperidin-4-yl] propanoate?
The IUPAC name of [(3R,4R)-1,3-dimethyl-4-phenylpiperidin-4-yl] propanoate (CID 5284516) is [(3R,4R)-1,3-dimethyl-4-phenylpiperidin-4-yl] propanoate.
What is the SMILES notation for [(3R,4R)-1,3-dimethyl-4-phenylpiperidin-4-yl] propanoate?
The canonical SMILES for [(3R,4R)-1,3-dimethyl-4-phenylpiperidin-4-yl] propanoate is CCC(=O)O[C@]1(c2ccccc2)CCN(C)C[C@H]1C.
What is the InChIKey of [(3R,4R)-1,3-dimethyl-4-phenylpiperidin-4-yl] propanoate?
The InChIKey is UVAZQQHAVMNMHE-CZUORRHYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-4-15(18)19-16(14-8-6-5-7-9-14)10-11-17(3)12-13(16)2/h5-9,13H,4,10-12H2,1-3H3/t13-,16-/m1/s1.
What are the key properties of [(3R,4R)-1,3-dimethyl-4-phenylpiperidin-4-yl] propanoate?
[(3R,4R)-1,3-dimethyl-4-phenylpiperidin-4-yl] propanoate has a molecular weight of 261.37 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-1,3-dimethyl-4-phenylpiperidin-4-yl] propanoate is sourced from PubChem (CID 5284516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).