methyl 2-(4-phenylmethoxypiperidin-1-yl)benzoate

C20H23NO3 — CID 139942928

IUPACmethyl 2-(4-phenylmethoxypiperidin-1-yl)benzoate
SMILESCOC(=O)c1ccccc1N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C20H23NO3/c1-23-20(22)18-9-5-6-10-19(18)21-13-11-17(12-14-21)24-15-16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3
InChIKeyHUKMWKFMZLZMMD-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.66
Rot. Bonds5

About methyl 2-(4-phenylmethoxypiperidin-1-yl)benzoate

methyl 2-(4-phenylmethoxypiperidin-1-yl)benzoate (PubChem CID 139942928) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is methyl 2-(4-phenylmethoxypiperidin-1-yl)benzoate.

Molecular Properties

Compound Namemethyl 2-(4-phenylmethoxypiperidin-1-yl)benzoate
PubChem CID139942928
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Namemethyl 2-(4-phenylmethoxypiperidin-1-yl)benzoate
SMILESCOC(=O)c1ccccc1N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C20H23NO3/c1-23-20(22)18-9-5-6-10-19(18)21-13-11-17(12-14-21)24-15-16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3
InChIKeyHUKMWKFMZLZMMD-UHFFFAOYSA-N
XLogP3.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4-phenylmethoxypiperidin-1-yl)sulfonylbenzoate
CID 51278510
methyl 2-[4-(2-phenylacetyl)piperazin-1-yl]benzoate
CID 113078376
benzyl 1-(2-methoxycarbonylphenyl)piperidine-3-carboxylate
CID 58992661
methyl 2-(azetidin-1-yl)benzoate
CID 131095388
methyl 2-[4-(2-aminoethyl)piperidin-1-yl]benzoate
CID 117003563
methyl 2-[4-(benzylcarbamoyl)piperazin-1-yl]benzoate
CID 113106604
N-methyl-4-phenylmethoxypiperidine-1-carboxamide
CID 131216132
benzyl 2-pyrrolidin-1-ylbenzoate
CID 168514928
methyl 2-(4-ethylpiperazin-1-yl)benzoate
CID 99973041
2-[4-(methoxymethyl)piperidin-1-yl]benzoic acid
CID 63971544
methyl 2-[(3R)-3-benzylpiperazin-1-yl]benzoate
CID 45072865
methyl 2-[(3S)-3-benzylpiperazin-1-yl]benzoate
CID 45072871

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-phenylmethoxypiperidin-1-yl)benzoate?
The IUPAC name of methyl 2-(4-phenylmethoxypiperidin-1-yl)benzoate (CID 139942928) is methyl 2-(4-phenylmethoxypiperidin-1-yl)benzoate.
What is the SMILES notation for methyl 2-(4-phenylmethoxypiperidin-1-yl)benzoate?
The canonical SMILES for methyl 2-(4-phenylmethoxypiperidin-1-yl)benzoate is COC(=O)c1ccccc1N1CCC(OCc2ccccc2)CC1.
What is the InChIKey of methyl 2-(4-phenylmethoxypiperidin-1-yl)benzoate?
The InChIKey is HUKMWKFMZLZMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-23-20(22)18-9-5-6-10-19(18)21-13-11-17(12-14-21)24-15-16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3.
What are the key properties of methyl 2-(4-phenylmethoxypiperidin-1-yl)benzoate?
methyl 2-(4-phenylmethoxypiperidin-1-yl)benzoate has a molecular weight of 325.41 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-phenylmethoxypiperidin-1-yl)benzoate is sourced from PubChem (CID 139942928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).