(3-ethylpiperidin-3-yl)-[3-(2-methylpropyl)phenyl]methanone

C18H27NO — CID 116568738

IUPAC(3-ethylpiperidin-3-yl)-[3-(2-methylpropyl)phenyl]methanone
SMILESCCC1(C(=O)c2cccc(CC(C)C)c2)CCCNC1
InChIInChI=1S/C18H27NO/c1-4-18(9-6-10-19-13-18)17(20)16-8-5-7-15(12-16)11-14(2)3/h5,7-8,12,14,19H,4,6,9-11,13H2,1-3H3
InChIKeyUZXPMAPXUYZUJT-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.85
Rot. Bonds5

About (3-ethylpiperidin-3-yl)-[3-(2-methylpropyl)phenyl]methanone

(3-ethylpiperidin-3-yl)-[3-(2-methylpropyl)phenyl]methanone (PubChem CID 116568738) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is (3-ethylpiperidin-3-yl)-[3-(2-methylpropyl)phenyl]methanone.

Molecular Properties

Compound Name(3-ethylpiperidin-3-yl)-[3-(2-methylpropyl)phenyl]methanone
PubChem CID116568738
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name(3-ethylpiperidin-3-yl)-[3-(2-methylpropyl)phenyl]methanone
SMILESCCC1(C(=O)c2cccc(CC(C)C)c2)CCCNC1
InChIInChI=1S/C18H27NO/c1-4-18(9-6-10-19-13-18)17(20)16-8-5-7-15(12-16)11-14(2)3/h5,7-8,12,14,19H,4,6,9-11,13H2,1-3H3
InChIKeyUZXPMAPXUYZUJT-UHFFFAOYSA-N
XLogP3.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-ethylpiperidin-3-yl)-[3-(2-methylpropyl)phenyl]methanone?
The IUPAC name of (3-ethylpiperidin-3-yl)-[3-(2-methylpropyl)phenyl]methanone (CID 116568738) is (3-ethylpiperidin-3-yl)-[3-(2-methylpropyl)phenyl]methanone.
What is the SMILES notation for (3-ethylpiperidin-3-yl)-[3-(2-methylpropyl)phenyl]methanone?
The canonical SMILES for (3-ethylpiperidin-3-yl)-[3-(2-methylpropyl)phenyl]methanone is CCC1(C(=O)c2cccc(CC(C)C)c2)CCCNC1.
What is the InChIKey of (3-ethylpiperidin-3-yl)-[3-(2-methylpropyl)phenyl]methanone?
The InChIKey is UZXPMAPXUYZUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-4-18(9-6-10-19-13-18)17(20)16-8-5-7-15(12-16)11-14(2)3/h5,7-8,12,14,19H,4,6,9-11,13H2,1-3H3.
What are the key properties of (3-ethylpiperidin-3-yl)-[3-(2-methylpropyl)phenyl]methanone?
(3-ethylpiperidin-3-yl)-[3-(2-methylpropyl)phenyl]methanone has a molecular weight of 273.42 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylpiperidin-3-yl)-[3-(2-methylpropyl)phenyl]methanone is sourced from PubChem (CID 116568738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).