3-(2,2-dimethyloxan-4-yl)-4-methyl-1-piperidin-1-ylpentan-1-one

C18H33NO2 — CID 666778

IUPAC3-(2,2-dimethyloxan-4-yl)-4-methyl-1-piperidin-1-ylpentan-1-one
SMILESCC(C)C(CC(=O)N1CCCCC1)C1CCOC(C)(C)C1
InChIInChI=1S/C18H33NO2/c1-14(2)16(15-8-11-21-18(3,4)13-15)12-17(20)19-9-6-5-7-10-19/h14-16H,5-13H2,1-4H3
InChIKeyDIWJCFXHCCDHOB-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.87
Rot. Bonds4

About 3-(2,2-dimethyloxan-4-yl)-4-methyl-1-piperidin-1-ylpentan-1-one

3-(2,2-dimethyloxan-4-yl)-4-methyl-1-piperidin-1-ylpentan-1-one (PubChem CID 666778) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 3-(2,2-dimethyloxan-4-yl)-4-methyl-1-piperidin-1-ylpentan-1-one.

Molecular Properties

Compound Name3-(2,2-dimethyloxan-4-yl)-4-methyl-1-piperidin-1-ylpentan-1-one
PubChem CID666778
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name3-(2,2-dimethyloxan-4-yl)-4-methyl-1-piperidin-1-ylpentan-1-one
SMILESCC(C)C(CC(=O)N1CCCCC1)C1CCOC(C)(C)C1
InChIInChI=1S/C18H33NO2/c1-14(2)16(15-8-11-21-18(3,4)13-15)12-17(20)19-9-6-5-7-10-19/h14-16H,5-13H2,1-4H3
InChIKeyDIWJCFXHCCDHOB-UHFFFAOYSA-N
XLogP3.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethyloxan-4-yl)-4-methyl-1-piperidin-1-ylpentan-1-one?
The IUPAC name of 3-(2,2-dimethyloxan-4-yl)-4-methyl-1-piperidin-1-ylpentan-1-one (CID 666778) is 3-(2,2-dimethyloxan-4-yl)-4-methyl-1-piperidin-1-ylpentan-1-one.
What is the SMILES notation for 3-(2,2-dimethyloxan-4-yl)-4-methyl-1-piperidin-1-ylpentan-1-one?
The canonical SMILES for 3-(2,2-dimethyloxan-4-yl)-4-methyl-1-piperidin-1-ylpentan-1-one is CC(C)C(CC(=O)N1CCCCC1)C1CCOC(C)(C)C1.
What is the InChIKey of 3-(2,2-dimethyloxan-4-yl)-4-methyl-1-piperidin-1-ylpentan-1-one?
The InChIKey is DIWJCFXHCCDHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-14(2)16(15-8-11-21-18(3,4)13-15)12-17(20)19-9-6-5-7-10-19/h14-16H,5-13H2,1-4H3.
What are the key properties of 3-(2,2-dimethyloxan-4-yl)-4-methyl-1-piperidin-1-ylpentan-1-one?
3-(2,2-dimethyloxan-4-yl)-4-methyl-1-piperidin-1-ylpentan-1-one has a molecular weight of 295.47 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethyloxan-4-yl)-4-methyl-1-piperidin-1-ylpentan-1-one is sourced from PubChem (CID 666778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).