[(2R,4S,5R)-5-acetyloxy-1,5-dimethyl-2-phenylpiperidin-4-yl] acetate

C17H23NO4 — CID 3051071

IUPAC[(2R,4S,5R)-5-acetyloxy-1,5-dimethyl-2-phenylpiperidin-4-yl] acetate
SMILESCC(=O)O[C@H]1C[C@H](c2ccccc2)N(C)C[C@@]1(C)OC(C)=O
InChIInChI=1S/C17H23NO4/c1-12(19)21-16-10-15(14-8-6-5-7-9-14)18(4)11-17(16,3)22-13(2)20/h5-9,15-16H,10-11H2,1-4H3/t15-,16+,17-/m1/s1
InChIKeyQAZUWMPRGAZEQZ-IXDOHACOSA-N
MW305.37 g/mol
LogP2.32
Rot. Bonds3

About [(2R,4S,5R)-5-acetyloxy-1,5-dimethyl-2-phenylpiperidin-4-yl] acetate

[(2R,4S,5R)-5-acetyloxy-1,5-dimethyl-2-phenylpiperidin-4-yl] acetate (PubChem CID 3051071) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is [(2R,4S,5R)-5-acetyloxy-1,5-dimethyl-2-phenylpiperidin-4-yl] acetate.

Molecular Properties

Compound Name[(2R,4S,5R)-5-acetyloxy-1,5-dimethyl-2-phenylpiperidin-4-yl] acetate
PubChem CID3051071
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name[(2R,4S,5R)-5-acetyloxy-1,5-dimethyl-2-phenylpiperidin-4-yl] acetate
SMILESCC(=O)O[C@H]1C[C@H](c2ccccc2)N(C)C[C@@]1(C)OC(C)=O
InChIInChI=1S/C17H23NO4/c1-12(19)21-16-10-15(14-8-6-5-7-9-14)18(4)11-17(16,3)22-13(2)20/h5-9,15-16H,10-11H2,1-4H3/t15-,16+,17-/m1/s1
InChIKeyQAZUWMPRGAZEQZ-IXDOHACOSA-N
XLogP2.32
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Diphenylmethyl)-1-methylpiperidin-3-yl propanoate--hydrogen chloride (1/1)
CID 209527
2-(Diphenylmethyl)-1-methylpiperidin-3-yl acetate--hydrogen chloride (1/1)
CID 209647
3,4-Piperidinediol, 1,3-dimethyl-6-phenyl-, (3-alpha,4-beta,6-beta)-
CID 3043687
3,4-Piperidinediol, 1,3-dimethyl-6-(2-fluorophenyl)-, diacetate (ester), hydrochloride, (3-alpha,4-beta,6-beta)-
CID 3051064
3,4-Piperidinediol, 3-methyl-6-phenyl-1-(phenylmethyl)-, diacetate (ester), hydrochloride, (3-alpha,4-beta,6-beta)-
CID 3051066
3,4-Piperidinediol, 3-methyl-6-phenyl-1-(phenylmethyl)-, diacetate (ester), hydrochloride(3-alpha,4-alpha,6-alpha)-
CID 3051068
3,4-Piperidinediol, 1,3-dimethyl-6-phenyl-, diacetate (ester), hydrochloride, (3-alpha,4-beta,6-alpha)-
CID 3051070
3,4-Piperidinediol, 3-methyl-6-phenyl-1-(phenylmethyl)-, diacetate (ester), hydrochloride, (3-alpha,4-beta,6-alpha)-
CID 3051072
3,4-Piperidinediol, 1,3-dimethyl-6-phenyl-, diacetate (ester), hydrochloride, (3-alpha,4-beta,6-beta)-
CID 3051076
3,4-Piperidinediol, 1,3-dimethyl-6-(4-methoxyphenyl)-, diacetate (ester), hydrochloride, (3-alpha,4-beta,6-beta)-
CID 3051078
3,4-Piperidinediol, 6-(2-chlorophenyl)-1,3-dimethyl-, diacetate (ester), hydrochloride, (3-alpha,4-beta,6-beta)-
CID 3051080
3,4-Piperidinediol, 1,3-dimethyl-6-phenyl-, hydrochloride, (3-alpha,4-beta,6-beta)-
CID 3051108

Frequently Asked Questions

What is the IUPAC name of [(2R,4S,5R)-5-acetyloxy-1,5-dimethyl-2-phenylpiperidin-4-yl] acetate?
The IUPAC name of [(2R,4S,5R)-5-acetyloxy-1,5-dimethyl-2-phenylpiperidin-4-yl] acetate (CID 3051071) is [(2R,4S,5R)-5-acetyloxy-1,5-dimethyl-2-phenylpiperidin-4-yl] acetate.
What is the SMILES notation for [(2R,4S,5R)-5-acetyloxy-1,5-dimethyl-2-phenylpiperidin-4-yl] acetate?
The canonical SMILES for [(2R,4S,5R)-5-acetyloxy-1,5-dimethyl-2-phenylpiperidin-4-yl] acetate is CC(=O)O[C@H]1C[C@H](c2ccccc2)N(C)C[C@@]1(C)OC(C)=O.
What is the InChIKey of [(2R,4S,5R)-5-acetyloxy-1,5-dimethyl-2-phenylpiperidin-4-yl] acetate?
The InChIKey is QAZUWMPRGAZEQZ-IXDOHACOSA-N. The full InChI is InChI=1S/C17H23NO4/c1-12(19)21-16-10-15(14-8-6-5-7-9-14)18(4)11-17(16,3)22-13(2)20/h5-9,15-16H,10-11H2,1-4H3/t15-,16+,17-/m1/s1.
What are the key properties of [(2R,4S,5R)-5-acetyloxy-1,5-dimethyl-2-phenylpiperidin-4-yl] acetate?
[(2R,4S,5R)-5-acetyloxy-1,5-dimethyl-2-phenylpiperidin-4-yl] acetate has a molecular weight of 305.37 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S,5R)-5-acetyloxy-1,5-dimethyl-2-phenylpiperidin-4-yl] acetate is sourced from PubChem (CID 3051071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).