[(3R)-4-(3-methylphenyl)piperidin-3-yl] 2-methoxybenzoate

C20H23NO3 — CID 142245480

IUPAC[(3R)-4-(3-methylphenyl)piperidin-3-yl] 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)O[C@H]1CNCCC1c1cccc(C)c1
InChIInChI=1S/C20H23NO3/c1-14-6-5-7-15(12-14)16-10-11-21-13-19(16)24-20(22)17-8-3-4-9-18(17)23-2/h3-9,12,16,19,21H,10-11,13H2,1-2H3/t16?,19-/m0/s1
InChIKeySVGBNLYDKWHUBV-CVMIBEPCSA-N
MW325.41 g/mol
LogP3.31
Rot. Bonds4

About [(3R)-4-(3-methylphenyl)piperidin-3-yl] 2-methoxybenzoate

[(3R)-4-(3-methylphenyl)piperidin-3-yl] 2-methoxybenzoate (PubChem CID 142245480) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is [(3R)-4-(3-methylphenyl)piperidin-3-yl] 2-methoxybenzoate.

Molecular Properties

Compound Name[(3R)-4-(3-methylphenyl)piperidin-3-yl] 2-methoxybenzoate
PubChem CID142245480
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name[(3R)-4-(3-methylphenyl)piperidin-3-yl] 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)O[C@H]1CNCCC1c1cccc(C)c1
InChIInChI=1S/C20H23NO3/c1-14-6-5-7-15(12-14)16-10-11-21-13-19(16)24-20(22)17-8-3-4-9-18(17)23-2/h3-9,12,16,19,21H,10-11,13H2,1-2H3/t16?,19-/m0/s1
InChIKeySVGBNLYDKWHUBV-CVMIBEPCSA-N
XLogP3.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-3-methoxy-4-(3-methylphenyl)piperidine;hydrochloride
CID 21309134
[(3R,4R)-4-phenylpiperidin-3-yl] 3,4-dimethoxybenzoate
CID 59674872
4-(3-methylphenyl)-3-phenylmethoxypiperidine
CID 21193252
ethane;(4-phenylpiperidin-3-yl) benzoate
CID 90732445
4-(3-methylphenyl)-3-phenylpiperidine
CID 79312119
[(3R,4R)-4-phenylpiperidin-3-yl] acetate
CID 59674879
[(3S,4S)-4-phenylpiperidin-3-yl] 4-(4-methoxyphenyl)benzoate
CID 59674874
methyl 3-(3-hydroxypiperidin-4-yl)benzoate;toluene
CID 174397755
(2-methoxyphenyl)-piperidin-4-ylmethanone
CID 20613843
4-(3-methoxyphenyl)-3-(4-methylphenyl)piperidine
CID 79432555
2-methoxy-N-[(3R,4S)-3-methoxypiperidin-4-yl]benzamide
CID 58025543
(2-methoxyphenyl)-[(2R)-2-(3-methylphenyl)pyrrolidin-1-yl]methanone
CID 95053415

Frequently Asked Questions

What is the IUPAC name of [(3R)-4-(3-methylphenyl)piperidin-3-yl] 2-methoxybenzoate?
The IUPAC name of [(3R)-4-(3-methylphenyl)piperidin-3-yl] 2-methoxybenzoate (CID 142245480) is [(3R)-4-(3-methylphenyl)piperidin-3-yl] 2-methoxybenzoate.
What is the SMILES notation for [(3R)-4-(3-methylphenyl)piperidin-3-yl] 2-methoxybenzoate?
The canonical SMILES for [(3R)-4-(3-methylphenyl)piperidin-3-yl] 2-methoxybenzoate is COc1ccccc1C(=O)O[C@H]1CNCCC1c1cccc(C)c1.
What is the InChIKey of [(3R)-4-(3-methylphenyl)piperidin-3-yl] 2-methoxybenzoate?
The InChIKey is SVGBNLYDKWHUBV-CVMIBEPCSA-N. The full InChI is InChI=1S/C20H23NO3/c1-14-6-5-7-15(12-14)16-10-11-21-13-19(16)24-20(22)17-8-3-4-9-18(17)23-2/h3-9,12,16,19,21H,10-11,13H2,1-2H3/t16?,19-/m0/s1.
What are the key properties of [(3R)-4-(3-methylphenyl)piperidin-3-yl] 2-methoxybenzoate?
[(3R)-4-(3-methylphenyl)piperidin-3-yl] 2-methoxybenzoate has a molecular weight of 325.41 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-4-(3-methylphenyl)piperidin-3-yl] 2-methoxybenzoate is sourced from PubChem (CID 142245480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).