(1-ethylpiperidin-4-yl)methyl benzoate

C15H21NO2 — CID 15841035

IUPAC(1-ethylpiperidin-4-yl)methyl benzoate
SMILESCCN1CCC(COC(=O)c2ccccc2)CC1
InChIInChI=1S/C15H21NO2/c1-2-16-10-8-13(9-11-16)12-18-15(17)14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3
InChIKeyZEHIKPNQXYUKCQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.58
Rot. Bonds4

About (1-ethylpiperidin-4-yl)methyl benzoate

(1-ethylpiperidin-4-yl)methyl benzoate (PubChem CID 15841035) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (1-ethylpiperidin-4-yl)methyl benzoate.

Molecular Properties

Compound Name(1-ethylpiperidin-4-yl)methyl benzoate
PubChem CID15841035
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(1-ethylpiperidin-4-yl)methyl benzoate
SMILESCCN1CCC(COC(=O)c2ccccc2)CC1
InChIInChI=1S/C15H21NO2/c1-2-16-10-8-13(9-11-16)12-18-15(17)14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3
InChIKeyZEHIKPNQXYUKCQ-UHFFFAOYSA-N
XLogP2.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-ethylpiperidin-4-yl)methyl benzoate?
The IUPAC name of (1-ethylpiperidin-4-yl)methyl benzoate (CID 15841035) is (1-ethylpiperidin-4-yl)methyl benzoate.
What is the SMILES notation for (1-ethylpiperidin-4-yl)methyl benzoate?
The canonical SMILES for (1-ethylpiperidin-4-yl)methyl benzoate is CCN1CCC(COC(=O)c2ccccc2)CC1.
What is the InChIKey of (1-ethylpiperidin-4-yl)methyl benzoate?
The InChIKey is ZEHIKPNQXYUKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-16-10-8-13(9-11-16)12-18-15(17)14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3.
What are the key properties of (1-ethylpiperidin-4-yl)methyl benzoate?
(1-ethylpiperidin-4-yl)methyl benzoate has a molecular weight of 247.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpiperidin-4-yl)methyl benzoate is sourced from PubChem (CID 15841035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).