1-(4-ethylcyclohexyl)-2-methyl-2-piperidin-1-ylpropan-1-one

C17H31NO — CID 79045000

IUPAC1-(4-ethylcyclohexyl)-2-methyl-2-piperidin-1-ylpropan-1-one
SMILESCCC1CCC(C(=O)C(C)(C)N2CCCCC2)CC1
InChIInChI=1S/C17H31NO/c1-4-14-8-10-15(11-9-14)16(19)17(2,3)18-12-6-5-7-13-18/h14-15H,4-13H2,1-3H3
InChIKeyFKQRJVDOWQLAJF-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.04
Rot. Bonds4

About 1-(4-ethylcyclohexyl)-2-methyl-2-piperidin-1-ylpropan-1-one

1-(4-ethylcyclohexyl)-2-methyl-2-piperidin-1-ylpropan-1-one (PubChem CID 79045000) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-2-methyl-2-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-2-methyl-2-piperidin-1-ylpropan-1-one
PubChem CID79045000
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name1-(4-ethylcyclohexyl)-2-methyl-2-piperidin-1-ylpropan-1-one
SMILESCCC1CCC(C(=O)C(C)(C)N2CCCCC2)CC1
InChIInChI=1S/C17H31NO/c1-4-14-8-10-15(11-9-14)16(19)17(2,3)18-12-6-5-7-13-18/h14-15H,4-13H2,1-3H3
InChIKeyFKQRJVDOWQLAJF-UHFFFAOYSA-N
XLogP4.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-2-methyl-2-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-(4-ethylcyclohexyl)-2-methyl-2-piperidin-1-ylpropan-1-one (CID 79045000) is 1-(4-ethylcyclohexyl)-2-methyl-2-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-2-methyl-2-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-(4-ethylcyclohexyl)-2-methyl-2-piperidin-1-ylpropan-1-one is CCC1CCC(C(=O)C(C)(C)N2CCCCC2)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-2-methyl-2-piperidin-1-ylpropan-1-one?
The InChIKey is FKQRJVDOWQLAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-4-14-8-10-15(11-9-14)16(19)17(2,3)18-12-6-5-7-13-18/h14-15H,4-13H2,1-3H3.
What are the key properties of 1-(4-ethylcyclohexyl)-2-methyl-2-piperidin-1-ylpropan-1-one?
1-(4-ethylcyclohexyl)-2-methyl-2-piperidin-1-ylpropan-1-one has a molecular weight of 265.44 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-2-methyl-2-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 79045000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).