1-(2-ethylpiperidin-1-yl)-3-phenylpropan-1-one

C16H23NO — CID 3718668

IUPAC1-(2-ethylpiperidin-1-yl)-3-phenylpropan-1-one
SMILESCCC1CCCCN1C(=O)CCc1ccccc1
InChIInChI=1S/C16H23NO/c1-2-15-10-6-7-13-17(15)16(18)12-11-14-8-4-3-5-9-14/h3-5,8-9,15H,2,6-7,10-13H2,1H3
InChIKeyQAGBRBUOEZYEMY-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.41
Rot. Bonds4

About 1-(2-ethylpiperidin-1-yl)-3-phenylpropan-1-one

1-(2-ethylpiperidin-1-yl)-3-phenylpropan-1-one (PubChem CID 3718668) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(2-ethylpiperidin-1-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(2-ethylpiperidin-1-yl)-3-phenylpropan-1-one
PubChem CID3718668
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-(2-ethylpiperidin-1-yl)-3-phenylpropan-1-one
SMILESCCC1CCCCN1C(=O)CCc1ccccc1
InChIInChI=1S/C16H23NO/c1-2-15-10-6-7-13-17(15)16(18)12-11-14-8-4-3-5-9-14/h3-5,8-9,15H,2,6-7,10-13H2,1H3
InChIKeyQAGBRBUOEZYEMY-UHFFFAOYSA-N
XLogP3.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidin-1-yl)-3-phenylpropan-1-one?
The IUPAC name of 1-(2-ethylpiperidin-1-yl)-3-phenylpropan-1-one (CID 3718668) is 1-(2-ethylpiperidin-1-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(2-ethylpiperidin-1-yl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(2-ethylpiperidin-1-yl)-3-phenylpropan-1-one is CCC1CCCCN1C(=O)CCc1ccccc1.
What is the InChIKey of 1-(2-ethylpiperidin-1-yl)-3-phenylpropan-1-one?
The InChIKey is QAGBRBUOEZYEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-2-15-10-6-7-13-17(15)16(18)12-11-14-8-4-3-5-9-14/h3-5,8-9,15H,2,6-7,10-13H2,1H3.
What are the key properties of 1-(2-ethylpiperidin-1-yl)-3-phenylpropan-1-one?
1-(2-ethylpiperidin-1-yl)-3-phenylpropan-1-one has a molecular weight of 245.37 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidin-1-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 3718668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).