(4-phenylpiperidin-4-yl) 3,4-dimethoxybenzoate

C20H23NO4 — CID 167316365

IUPAC(4-phenylpiperidin-4-yl) 3,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)OC2(c3ccccc3)CCNCC2)cc1OC
InChIInChI=1S/C20H23NO4/c1-23-17-9-8-15(14-18(17)24-2)19(22)25-20(10-12-21-13-11-20)16-6-4-3-5-7-16/h3-9,14,21H,10-13H2,1-2H3
InChIKeyBKVGMSPWRBKZCM-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.14
Rot. Bonds5

About (4-phenylpiperidin-4-yl) 3,4-dimethoxybenzoate

(4-phenylpiperidin-4-yl) 3,4-dimethoxybenzoate (PubChem CID 167316365) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is (4-phenylpiperidin-4-yl) 3,4-dimethoxybenzoate.

Molecular Properties

Compound Name(4-phenylpiperidin-4-yl) 3,4-dimethoxybenzoate
PubChem CID167316365
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name(4-phenylpiperidin-4-yl) 3,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)OC2(c3ccccc3)CCNCC2)cc1OC
InChIInChI=1S/C20H23NO4/c1-23-17-9-8-15(14-18(17)24-2)19(22)25-20(10-12-21-13-11-20)16-6-4-3-5-7-16/h3-9,14,21H,10-13H2,1-2H3
InChIKeyBKVGMSPWRBKZCM-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-4-yl) 2,5-dimethoxybenzoate
CID 163889911
(4-phenylpiperidin-4-yl) 4-bromobenzoate
CID 167315681
(4-phenylpiperidin-4-yl) 4-chloro-2-methoxybenzoate
CID 167315777
(4-phenylpiperidin-4-yl) 4-propylbenzoate
CID 167316093
(4-phenylpiperidin-4-yl) 3-cyanobenzoate
CID 170255790
(4-phenylpiperidin-4-yl) 3-hydroxy-4-nitrobenzoate
CID 167314736
(4-phenylpiperidin-4-yl) 2-ethoxybenzoate
CID 167315887
(4-phenylpiperidin-4-yl) 4-(2-iodo-2-methylpropanoyl)oxybenzoate
CID 162508509
(4-phenylpiperidin-4-yl) 2,5-dimethylbenzoate
CID 167315352
(4-phenylpiperidin-4-yl) 2-aminobenzoate
CID 167315238
(4-phenylpiperidin-4-yl) 2-bromo-2-methylpropanoate
CID 167316143
(3,4-dimethoxyphenyl)-(4-propylpiperidin-4-yl)methanone
CID 116569157

Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperidin-4-yl) 3,4-dimethoxybenzoate?
The IUPAC name of (4-phenylpiperidin-4-yl) 3,4-dimethoxybenzoate (CID 167316365) is (4-phenylpiperidin-4-yl) 3,4-dimethoxybenzoate.
What is the SMILES notation for (4-phenylpiperidin-4-yl) 3,4-dimethoxybenzoate?
The canonical SMILES for (4-phenylpiperidin-4-yl) 3,4-dimethoxybenzoate is COc1ccc(C(=O)OC2(c3ccccc3)CCNCC2)cc1OC.
What is the InChIKey of (4-phenylpiperidin-4-yl) 3,4-dimethoxybenzoate?
The InChIKey is BKVGMSPWRBKZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-23-17-9-8-15(14-18(17)24-2)19(22)25-20(10-12-21-13-11-20)16-6-4-3-5-7-16/h3-9,14,21H,10-13H2,1-2H3.
What are the key properties of (4-phenylpiperidin-4-yl) 3,4-dimethoxybenzoate?
(4-phenylpiperidin-4-yl) 3,4-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) 3,4-dimethoxybenzoate is sourced from PubChem (CID 167316365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).