(4-phenylpiperidin-4-yl) 2,5-dimethoxybenzoate

C20H23NO4 — CID 163889911

IUPAC(4-phenylpiperidin-4-yl) 2,5-dimethoxybenzoate
SMILESCOc1ccc(OC)c(C(=O)OC2(c3ccccc3)CCNCC2)c1
InChIInChI=1S/C20H23NO4/c1-23-16-8-9-18(24-2)17(14-16)19(22)25-20(10-12-21-13-11-20)15-6-4-3-5-7-15/h3-9,14,21H,10-13H2,1-2H3
InChIKeyQARBDLHBZMWAQJ-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.14
Rot. Bonds5

About (4-phenylpiperidin-4-yl) 2,5-dimethoxybenzoate

(4-phenylpiperidin-4-yl) 2,5-dimethoxybenzoate (PubChem CID 163889911) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is (4-phenylpiperidin-4-yl) 2,5-dimethoxybenzoate.

Molecular Properties

Compound Name(4-phenylpiperidin-4-yl) 2,5-dimethoxybenzoate
PubChem CID163889911
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name(4-phenylpiperidin-4-yl) 2,5-dimethoxybenzoate
SMILESCOc1ccc(OC)c(C(=O)OC2(c3ccccc3)CCNCC2)c1
InChIInChI=1S/C20H23NO4/c1-23-16-8-9-18(24-2)17(14-16)19(22)25-20(10-12-21-13-11-20)15-6-4-3-5-7-15/h3-9,14,21H,10-13H2,1-2H3
InChIKeyQARBDLHBZMWAQJ-UHFFFAOYSA-N
XLogP3.14
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-phenylpiperidin-1-ium-4-yl) 2,5-dimethoxybenzoate
CID 163889910
(4-phenylpiperidin-4-yl) 3,4-dimethoxybenzoate
CID 167316365
(4-phenylpiperidin-4-yl) 4-chloro-2-methoxybenzoate
CID 167315777
(4-phenylpiperidin-4-yl) 2,5-dimethylbenzoate
CID 167315352
(4-phenylpiperidin-4-yl) 2-aminobenzoate
CID 167315238
(4-phenylpiperidin-4-yl) 2,3,4,5-tetrachlorobenzoate
CID 167316206
(4-phenylpiperidin-4-yl) 3-acetyloxy-2-methylbenzoate
CID 167315206
(4-phenylpiperidin-4-yl) 2-methyl-5-nitrobenzoate
CID 167315632
(4-phenylpiperidin-4-yl) 2,4,6-trichlorobenzoate
CID 167316403
(2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate
CID 122207257
(4-phenylpiperidin-4-yl) 4-bromobenzoate
CID 167315681
[4-(4-methoxyphenyl)piperidin-4-yl] 2,2-dimethylpropanoate
CID 174809929

Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperidin-4-yl) 2,5-dimethoxybenzoate?
The IUPAC name of (4-phenylpiperidin-4-yl) 2,5-dimethoxybenzoate (CID 163889911) is (4-phenylpiperidin-4-yl) 2,5-dimethoxybenzoate.
What is the SMILES notation for (4-phenylpiperidin-4-yl) 2,5-dimethoxybenzoate?
The canonical SMILES for (4-phenylpiperidin-4-yl) 2,5-dimethoxybenzoate is COc1ccc(OC)c(C(=O)OC2(c3ccccc3)CCNCC2)c1.
What is the InChIKey of (4-phenylpiperidin-4-yl) 2,5-dimethoxybenzoate?
The InChIKey is QARBDLHBZMWAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-23-16-8-9-18(24-2)17(14-16)19(22)25-20(10-12-21-13-11-20)15-6-4-3-5-7-15/h3-9,14,21H,10-13H2,1-2H3.
What are the key properties of (4-phenylpiperidin-4-yl) 2,5-dimethoxybenzoate?
(4-phenylpiperidin-4-yl) 2,5-dimethoxybenzoate has a molecular weight of 341.41 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperidin-4-yl) 2,5-dimethoxybenzoate is sourced from PubChem (CID 163889911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).