[4-(methylamino)piperidin-1-yl]-(oxan-3-yl)methanone

C12H22N2O2 — CID 63010452

IUPAC[4-(methylamino)piperidin-1-yl]-(oxan-3-yl)methanone
SMILESCNC1CCN(C(=O)C2CCCOC2)CC1
InChIInChI=1S/C12H22N2O2/c1-13-11-4-6-14(7-5-11)12(15)10-3-2-8-16-9-10/h10-11,13H,2-9H2,1H3
InChIKeyAUURNTSTQXWOOC-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.62
Rot. Bonds2

About [4-(methylamino)piperidin-1-yl]-(oxan-3-yl)methanone

[4-(methylamino)piperidin-1-yl]-(oxan-3-yl)methanone (PubChem CID 63010452) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is [4-(methylamino)piperidin-1-yl]-(oxan-3-yl)methanone.

Molecular Properties

Compound Name[4-(methylamino)piperidin-1-yl]-(oxan-3-yl)methanone
PubChem CID63010452
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name[4-(methylamino)piperidin-1-yl]-(oxan-3-yl)methanone
SMILESCNC1CCN(C(=O)C2CCCOC2)CC1
InChIInChI=1S/C12H22N2O2/c1-13-11-4-6-14(7-5-11)12(15)10-3-2-8-16-9-10/h10-11,13H,2-9H2,1H3
InChIKeyAUURNTSTQXWOOC-UHFFFAOYSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)piperidin-1-yl]-(oxan-3-yl)methanone?
The IUPAC name of [4-(methylamino)piperidin-1-yl]-(oxan-3-yl)methanone (CID 63010452) is [4-(methylamino)piperidin-1-yl]-(oxan-3-yl)methanone.
What is the SMILES notation for [4-(methylamino)piperidin-1-yl]-(oxan-3-yl)methanone?
The canonical SMILES for [4-(methylamino)piperidin-1-yl]-(oxan-3-yl)methanone is CNC1CCN(C(=O)C2CCCOC2)CC1.
What is the InChIKey of [4-(methylamino)piperidin-1-yl]-(oxan-3-yl)methanone?
The InChIKey is AUURNTSTQXWOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-13-11-4-6-14(7-5-11)12(15)10-3-2-8-16-9-10/h10-11,13H,2-9H2,1H3.
What are the key properties of [4-(methylamino)piperidin-1-yl]-(oxan-3-yl)methanone?
[4-(methylamino)piperidin-1-yl]-(oxan-3-yl)methanone has a molecular weight of 226.32 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)piperidin-1-yl]-(oxan-3-yl)methanone is sourced from PubChem (CID 63010452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).