2-methyl-6-(oxolan-2-yl)-2-piperidin-1-ylhexan-3-one

C16H29NO2 — CID 79045975

IUPAC2-methyl-6-(oxolan-2-yl)-2-piperidin-1-ylhexan-3-one
SMILESCC(C)(C(=O)CCCC1CCCO1)N1CCCCC1
InChIInChI=1S/C16H29NO2/c1-16(2,17-11-4-3-5-12-17)15(18)10-6-8-14-9-7-13-19-14/h14H,3-13H2,1-2H3
InChIKeyUBASWEHGSIFTPO-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.17
Rot. Bonds6

About 2-methyl-6-(oxolan-2-yl)-2-piperidin-1-ylhexan-3-one

2-methyl-6-(oxolan-2-yl)-2-piperidin-1-ylhexan-3-one (PubChem CID 79045975) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 2-methyl-6-(oxolan-2-yl)-2-piperidin-1-ylhexan-3-one.

Molecular Properties

Compound Name2-methyl-6-(oxolan-2-yl)-2-piperidin-1-ylhexan-3-one
PubChem CID79045975
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name2-methyl-6-(oxolan-2-yl)-2-piperidin-1-ylhexan-3-one
SMILESCC(C)(C(=O)CCCC1CCCO1)N1CCCCC1
InChIInChI=1S/C16H29NO2/c1-16(2,17-11-4-3-5-12-17)15(18)10-6-8-14-9-7-13-19-14/h14H,3-13H2,1-2H3
InChIKeyUBASWEHGSIFTPO-UHFFFAOYSA-N
XLogP3.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(oxolan-2-yl)-2-piperidin-1-ylhexan-3-one?
The IUPAC name of 2-methyl-6-(oxolan-2-yl)-2-piperidin-1-ylhexan-3-one (CID 79045975) is 2-methyl-6-(oxolan-2-yl)-2-piperidin-1-ylhexan-3-one.
What is the SMILES notation for 2-methyl-6-(oxolan-2-yl)-2-piperidin-1-ylhexan-3-one?
The canonical SMILES for 2-methyl-6-(oxolan-2-yl)-2-piperidin-1-ylhexan-3-one is CC(C)(C(=O)CCCC1CCCO1)N1CCCCC1.
What is the InChIKey of 2-methyl-6-(oxolan-2-yl)-2-piperidin-1-ylhexan-3-one?
The InChIKey is UBASWEHGSIFTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-16(2,17-11-4-3-5-12-17)15(18)10-6-8-14-9-7-13-19-14/h14H,3-13H2,1-2H3.
What are the key properties of 2-methyl-6-(oxolan-2-yl)-2-piperidin-1-ylhexan-3-one?
2-methyl-6-(oxolan-2-yl)-2-piperidin-1-ylhexan-3-one has a molecular weight of 267.41 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(oxolan-2-yl)-2-piperidin-1-ylhexan-3-one is sourced from PubChem (CID 79045975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).