[(2S)-2-methylpiperazin-1-yl]-[(3R)-oxolan-3-yl]methanone

C10H18N2O2 — CID 94545809

IUPAC[(2S)-2-methylpiperazin-1-yl]-[(3R)-oxolan-3-yl]methanone
SMILESC[C@H]1CNCCN1C(=O)[C@@H]1CCOC1
InChIInChI=1S/C10H18N2O2/c1-8-6-11-3-4-12(8)10(13)9-2-5-14-7-9/h8-9,11H,2-7H2,1H3/t8-,9+/m0/s1
InChIKeyKONTUKWRRKCKIE-DTWKUNHWSA-N
MW198.27 g/mol
LogP-0.16
Rot. Bonds1

About [(2S)-2-methylpiperazin-1-yl]-[(3R)-oxolan-3-yl]methanone

[(2S)-2-methylpiperazin-1-yl]-[(3R)-oxolan-3-yl]methanone (PubChem CID 94545809) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is [(2S)-2-methylpiperazin-1-yl]-[(3R)-oxolan-3-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-methylpiperazin-1-yl]-[(3R)-oxolan-3-yl]methanone
PubChem CID94545809
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name[(2S)-2-methylpiperazin-1-yl]-[(3R)-oxolan-3-yl]methanone
SMILESC[C@H]1CNCCN1C(=O)[C@@H]1CCOC1
InChIInChI=1S/C10H18N2O2/c1-8-6-11-3-4-12(8)10(13)9-2-5-14-7-9/h8-9,11H,2-7H2,1H3/t8-,9+/m0/s1
InChIKeyKONTUKWRRKCKIE-DTWKUNHWSA-N
XLogP-0.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methylpiperazin-1-yl]-[(3R)-oxolan-3-yl]methanone?
The IUPAC name of [(2S)-2-methylpiperazin-1-yl]-[(3R)-oxolan-3-yl]methanone (CID 94545809) is [(2S)-2-methylpiperazin-1-yl]-[(3R)-oxolan-3-yl]methanone.
What is the SMILES notation for [(2S)-2-methylpiperazin-1-yl]-[(3R)-oxolan-3-yl]methanone?
The canonical SMILES for [(2S)-2-methylpiperazin-1-yl]-[(3R)-oxolan-3-yl]methanone is C[C@H]1CNCCN1C(=O)[C@@H]1CCOC1.
What is the InChIKey of [(2S)-2-methylpiperazin-1-yl]-[(3R)-oxolan-3-yl]methanone?
The InChIKey is KONTUKWRRKCKIE-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-8-6-11-3-4-12(8)10(13)9-2-5-14-7-9/h8-9,11H,2-7H2,1H3/t8-,9+/m0/s1.
What are the key properties of [(2S)-2-methylpiperazin-1-yl]-[(3R)-oxolan-3-yl]methanone?
[(2S)-2-methylpiperazin-1-yl]-[(3R)-oxolan-3-yl]methanone has a molecular weight of 198.27 g/mol, XLogP of -0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-methylpiperazin-1-yl]-[(3R)-oxolan-3-yl]methanone is sourced from PubChem (CID 94545809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).