(4-phenylpiperidin-4-yl) 4-propylbenzoate

C21H25NO2 — CID 167316093

IUPAC(4-phenylpiperidin-4-yl) 4-propylbenzoate
SMILESCCCc1ccc(C(=O)OC2(c3ccccc3)CCNCC2)cc1
InChIInChI=1S/C21H25NO2/c1-2-6-17-9-11-18(12-10-17)20(23)24-21(13-15-22-16-14-21)19-7-4-3-5-8-19/h3-5,7-12,22H,2,6,13-16H2,1H3
InChIKeyVGNPFDXXAWNLNW-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.07
Rot. Bonds5

About (4-phenylpiperidin-4-yl) 4-propylbenzoate

(4-phenylpiperidin-4-yl) 4-propylbenzoate (PubChem CID 167316093) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is (4-phenylpiperidin-4-yl) 4-propylbenzoate.

Molecular Properties

Compound Name(4-phenylpiperidin-4-yl) 4-propylbenzoate
PubChem CID167316093
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name(4-phenylpiperidin-4-yl) 4-propylbenzoate
SMILESCCCc1ccc(C(=O)OC2(c3ccccc3)CCNCC2)cc1
InChIInChI=1S/C21H25NO2/c1-2-6-17-9-11-18(12-10-17)20(23)24-21(13-15-22-16-14-21)19-7-4-3-5-8-19/h3-5,7-12,22H,2,6,13-16H2,1H3
InChIKeyVGNPFDXXAWNLNW-UHFFFAOYSA-N
XLogP4.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-phenylpiperidin-4-yl) 4-bromobenzoate
CID 167315681
(4-phenylpiperidin-4-yl) 3,4-dimethoxybenzoate
CID 167316365
[4-[3-[4-[1-oxo-3-phenyl-1-(4-phenylpiperidin-4-yl)oxypropan-2-yl]phenyl]phenyl]piperidin-4-yl] 4-(4-hexylphenyl)benzoate
CID 170256727
(4-phenylpiperidin-4-yl) 2-ethoxybenzoate
CID 167315887
(4-phenylpiperidin-4-yl) 5-phenylpentanoate
CID 167316142
(4-phenylpiperidin-4-yl) 3-cyanobenzoate
CID 170255790
(4-phenylpiperidin-4-yl) 2-chloroacetate
CID 167316132
(4-phenylpiperidin-4-yl) 2-aminobenzoate
CID 167315238
(4-phenylpiperidin-4-yl) 3-hydroxy-4-nitrobenzoate
CID 167314736
(4-propylphenyl)-(4-propylpiperidin-4-yl)methanone
CID 116569053
(4-phenylpiperidin-4-yl) 2-bromo-2-methylpropanoate
CID 167316143
(4-phenylpiperidin-4-yl) 2,5-dimethylbenzoate
CID 167315352

Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperidin-4-yl) 4-propylbenzoate?
The IUPAC name of (4-phenylpiperidin-4-yl) 4-propylbenzoate (CID 167316093) is (4-phenylpiperidin-4-yl) 4-propylbenzoate.
What is the SMILES notation for (4-phenylpiperidin-4-yl) 4-propylbenzoate?
The canonical SMILES for (4-phenylpiperidin-4-yl) 4-propylbenzoate is CCCc1ccc(C(=O)OC2(c3ccccc3)CCNCC2)cc1.
What is the InChIKey of (4-phenylpiperidin-4-yl) 4-propylbenzoate?
The InChIKey is VGNPFDXXAWNLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-2-6-17-9-11-18(12-10-17)20(23)24-21(13-15-22-16-14-21)19-7-4-3-5-8-19/h3-5,7-12,22H,2,6,13-16H2,1H3.
What are the key properties of (4-phenylpiperidin-4-yl) 4-propylbenzoate?
(4-phenylpiperidin-4-yl) 4-propylbenzoate has a molecular weight of 323.44 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperidin-4-yl) 4-propylbenzoate is sourced from PubChem (CID 167316093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).