2-[(3-propoxypiperidin-1-yl)methyl]-4-propylcyclohexan-1-one

C18H33NO2 — CID 62613886

IUPAC2-[(3-propoxypiperidin-1-yl)methyl]-4-propylcyclohexan-1-one
SMILESCCCOC1CCCN(CC2CC(CCC)CCC2=O)C1
InChIInChI=1S/C18H33NO2/c1-3-6-15-8-9-18(20)16(12-15)13-19-10-5-7-17(14-19)21-11-4-2/h15-17H,3-14H2,1-2H3
InChIKeyWCNITLIFSPPBSK-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.66
Rot. Bonds7

About 2-[(3-propoxypiperidin-1-yl)methyl]-4-propylcyclohexan-1-one

2-[(3-propoxypiperidin-1-yl)methyl]-4-propylcyclohexan-1-one (PubChem CID 62613886) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-[(3-propoxypiperidin-1-yl)methyl]-4-propylcyclohexan-1-one.

Molecular Properties

Compound Name2-[(3-propoxypiperidin-1-yl)methyl]-4-propylcyclohexan-1-one
PubChem CID62613886
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name2-[(3-propoxypiperidin-1-yl)methyl]-4-propylcyclohexan-1-one
SMILESCCCOC1CCCN(CC2CC(CCC)CCC2=O)C1
InChIInChI=1S/C18H33NO2/c1-3-6-15-8-9-18(20)16(12-15)13-19-10-5-7-17(14-19)21-11-4-2/h15-17H,3-14H2,1-2H3
InChIKeyWCNITLIFSPPBSK-UHFFFAOYSA-N
XLogP3.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-propoxypiperidin-1-yl)methyl]-4-propylcyclohexan-1-one?
The IUPAC name of 2-[(3-propoxypiperidin-1-yl)methyl]-4-propylcyclohexan-1-one (CID 62613886) is 2-[(3-propoxypiperidin-1-yl)methyl]-4-propylcyclohexan-1-one.
What is the SMILES notation for 2-[(3-propoxypiperidin-1-yl)methyl]-4-propylcyclohexan-1-one?
The canonical SMILES for 2-[(3-propoxypiperidin-1-yl)methyl]-4-propylcyclohexan-1-one is CCCOC1CCCN(CC2CC(CCC)CCC2=O)C1.
What is the InChIKey of 2-[(3-propoxypiperidin-1-yl)methyl]-4-propylcyclohexan-1-one?
The InChIKey is WCNITLIFSPPBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-3-6-15-8-9-18(20)16(12-15)13-19-10-5-7-17(14-19)21-11-4-2/h15-17H,3-14H2,1-2H3.
What are the key properties of 2-[(3-propoxypiperidin-1-yl)methyl]-4-propylcyclohexan-1-one?
2-[(3-propoxypiperidin-1-yl)methyl]-4-propylcyclohexan-1-one has a molecular weight of 295.47 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-propoxypiperidin-1-yl)methyl]-4-propylcyclohexan-1-one is sourced from PubChem (CID 62613886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).