[2-(methylaminomethyl)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone

C12H22N2O2 — CID 104856232

IUPAC[2-(methylaminomethyl)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
SMILESCNCC1CCCCN1C(=O)[C@@H]1CCCO1
InChIInChI=1S/C12H22N2O2/c1-13-9-10-5-2-3-7-14(10)12(15)11-6-4-8-16-11/h10-11,13H,2-9H2,1H3/t10?,11-/m0/s1
InChIKeyFRQPXLATTWIMGA-DTIOYNMSSA-N
MW226.32 g/mol
LogP0.77
Rot. Bonds3

About [2-(methylaminomethyl)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone

[2-(methylaminomethyl)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone (PubChem CID 104856232) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is [2-(methylaminomethyl)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[2-(methylaminomethyl)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
PubChem CID104856232
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name[2-(methylaminomethyl)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
SMILESCNCC1CCCCN1C(=O)[C@@H]1CCCO1
InChIInChI=1S/C12H22N2O2/c1-13-9-10-5-2-3-7-14(10)12(15)11-6-4-8-16-11/h10-11,13H,2-9H2,1H3/t10?,11-/m0/s1
InChIKeyFRQPXLATTWIMGA-DTIOYNMSSA-N
XLogP0.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(methylaminomethyl)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The IUPAC name of [2-(methylaminomethyl)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone (CID 104856232) is [2-(methylaminomethyl)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone.
What is the SMILES notation for [2-(methylaminomethyl)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The canonical SMILES for [2-(methylaminomethyl)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone is CNCC1CCCCN1C(=O)[C@@H]1CCCO1.
What is the InChIKey of [2-(methylaminomethyl)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The InChIKey is FRQPXLATTWIMGA-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-13-9-10-5-2-3-7-14(10)12(15)11-6-4-8-16-11/h10-11,13H,2-9H2,1H3/t10?,11-/m0/s1.
What are the key properties of [2-(methylaminomethyl)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone?
[2-(methylaminomethyl)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone has a molecular weight of 226.32 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylaminomethyl)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone is sourced from PubChem (CID 104856232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).