(2-methylpiperidin-3-yl)-(oxan-3-yl)methanone

C12H21NO2 — CID 130892569

IUPAC(2-methylpiperidin-3-yl)-(oxan-3-yl)methanone
SMILESCC1NCCCC1C(=O)C1CCCOC1
InChIInChI=1S/C12H21NO2/c1-9-11(5-2-6-13-9)12(14)10-4-3-7-15-8-10/h9-11,13H,2-8H2,1H3
InChIKeyCMHPQLZCOIMOJK-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.37
Rot. Bonds2

About (2-methylpiperidin-3-yl)-(oxan-3-yl)methanone

(2-methylpiperidin-3-yl)-(oxan-3-yl)methanone (PubChem CID 130892569) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (2-methylpiperidin-3-yl)-(oxan-3-yl)methanone.

Molecular Properties

Compound Name(2-methylpiperidin-3-yl)-(oxan-3-yl)methanone
PubChem CID130892569
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(2-methylpiperidin-3-yl)-(oxan-3-yl)methanone
SMILESCC1NCCCC1C(=O)C1CCCOC1
InChIInChI=1S/C12H21NO2/c1-9-11(5-2-6-13-9)12(14)10-4-3-7-15-8-10/h9-11,13H,2-8H2,1H3
InChIKeyCMHPQLZCOIMOJK-UHFFFAOYSA-N
XLogP1.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methylpiperidin-3-yl)-(oxan-3-yl)methanone?
The IUPAC name of (2-methylpiperidin-3-yl)-(oxan-3-yl)methanone (CID 130892569) is (2-methylpiperidin-3-yl)-(oxan-3-yl)methanone.
What is the SMILES notation for (2-methylpiperidin-3-yl)-(oxan-3-yl)methanone?
The canonical SMILES for (2-methylpiperidin-3-yl)-(oxan-3-yl)methanone is CC1NCCCC1C(=O)C1CCCOC1.
What is the InChIKey of (2-methylpiperidin-3-yl)-(oxan-3-yl)methanone?
The InChIKey is CMHPQLZCOIMOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9-11(5-2-6-13-9)12(14)10-4-3-7-15-8-10/h9-11,13H,2-8H2,1H3.
What are the key properties of (2-methylpiperidin-3-yl)-(oxan-3-yl)methanone?
(2-methylpiperidin-3-yl)-(oxan-3-yl)methanone has a molecular weight of 211.30 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpiperidin-3-yl)-(oxan-3-yl)methanone is sourced from PubChem (CID 130892569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).