(1,2,5-trimethyl-4-phenylpiperidin-4-yl) benzoate

C21H25NO2 — CID 511503

IUPAC(1,2,5-trimethyl-4-phenylpiperidin-4-yl) benzoate
SMILESCC1CC(OC(=O)c2ccccc2)(c2ccccc2)C(C)CN1C
InChIInChI=1S/C21H25NO2/c1-16-15-22(3)17(2)14-21(16,19-12-8-5-9-13-19)24-20(23)18-10-6-4-7-11-18/h4-13,16-17H,14-15H2,1-3H3
InChIKeyADUJECNUNSENPU-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.10
Rot. Bonds3

About (1,2,5-trimethyl-4-phenylpiperidin-4-yl) benzoate

(1,2,5-trimethyl-4-phenylpiperidin-4-yl) benzoate (PubChem CID 511503) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is (1,2,5-trimethyl-4-phenylpiperidin-4-yl) benzoate.

Molecular Properties

Compound Name(1,2,5-trimethyl-4-phenylpiperidin-4-yl) benzoate
PubChem CID511503
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name(1,2,5-trimethyl-4-phenylpiperidin-4-yl) benzoate
SMILESCC1CC(OC(=O)c2ccccc2)(c2ccccc2)C(C)CN1C
InChIInChI=1S/C21H25NO2/c1-16-15-22(3)17(2)14-21(16,19-12-8-5-9-13-19)24-20(23)18-10-6-4-7-11-18/h4-13,16-17H,14-15H2,1-3H3
InChIKeyADUJECNUNSENPU-UHFFFAOYSA-N
XLogP4.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 10100
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CID 120738
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CID 52919
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CID 15424
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CID 4942
CID 4942
CID 200742
CID 200742
CID 60977
CID 60977
CID 20395
CID 20395
CID 68600
CID 68600
CID 120737
CID 120737
CID 61583
CID 61583
CID 441412
CID 441412

Frequently Asked Questions

What is the IUPAC name of (1,2,5-trimethyl-4-phenylpiperidin-4-yl) benzoate?
The IUPAC name of (1,2,5-trimethyl-4-phenylpiperidin-4-yl) benzoate (CID 511503) is (1,2,5-trimethyl-4-phenylpiperidin-4-yl) benzoate.
What is the SMILES notation for (1,2,5-trimethyl-4-phenylpiperidin-4-yl) benzoate?
The canonical SMILES for (1,2,5-trimethyl-4-phenylpiperidin-4-yl) benzoate is CC1CC(OC(=O)c2ccccc2)(c2ccccc2)C(C)CN1C.
What is the InChIKey of (1,2,5-trimethyl-4-phenylpiperidin-4-yl) benzoate?
The InChIKey is ADUJECNUNSENPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-16-15-22(3)17(2)14-21(16,19-12-8-5-9-13-19)24-20(23)18-10-6-4-7-11-18/h4-13,16-17H,14-15H2,1-3H3.
What are the key properties of (1,2,5-trimethyl-4-phenylpiperidin-4-yl) benzoate?
(1,2,5-trimethyl-4-phenylpiperidin-4-yl) benzoate has a molecular weight of 323.44 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,5-trimethyl-4-phenylpiperidin-4-yl) benzoate is sourced from PubChem (CID 511503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).