[(2S)-oxolan-2-yl]-piperazin-4-ium-1-ylmethanone

C9H17N2O2+ — CID 7019012

IUPAC[(2S)-oxolan-2-yl]-piperazin-4-ium-1-ylmethanone
SMILESO=C([C@@H]1CCCO1)N1CC[NH2+]CC1
InChIInChI=1S/C9H16N2O2/c12-9(8-2-1-7-13-8)11-5-3-10-4-6-11/h8,10H,1-7H2/p+1/t8-/m0/s1
InChIKeyUKESBLFBQANJHH-QMMMGPOBSA-O
MW185.25 g/mol
LogP-1.43
Rot. Bonds1

About [(2S)-oxolan-2-yl]-piperazin-4-ium-1-ylmethanone

[(2S)-oxolan-2-yl]-piperazin-4-ium-1-ylmethanone (PubChem CID 7019012) has the molecular formula C9H17N2O2+ and a molecular weight of 185.25 g/mol. Its IUPAC name is [(2S)-oxolan-2-yl]-piperazin-4-ium-1-ylmethanone.

Molecular Properties

Compound Name[(2S)-oxolan-2-yl]-piperazin-4-ium-1-ylmethanone
PubChem CID7019012
Molecular FormulaC9H17N2O2+
Molecular Weight185.25 g/mol
Exact Mass185.13
IUPAC Name[(2S)-oxolan-2-yl]-piperazin-4-ium-1-ylmethanone
SMILESO=C([C@@H]1CCCO1)N1CC[NH2+]CC1
InChIInChI=1S/C9H16N2O2/c12-9(8-2-1-7-13-8)11-5-3-10-4-6-11/h8,10H,1-7H2/p+1/t8-/m0/s1
InChIKeyUKESBLFBQANJHH-QMMMGPOBSA-O
XLogP-1.43
TPSA46.15 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 5-1.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S)-oxolan-2-yl]-piperazin-4-ium-1-ylmethanone?
The IUPAC name of [(2S)-oxolan-2-yl]-piperazin-4-ium-1-ylmethanone (CID 7019012) is [(2S)-oxolan-2-yl]-piperazin-4-ium-1-ylmethanone.
What is the SMILES notation for [(2S)-oxolan-2-yl]-piperazin-4-ium-1-ylmethanone?
The canonical SMILES for [(2S)-oxolan-2-yl]-piperazin-4-ium-1-ylmethanone is O=C([C@@H]1CCCO1)N1CC[NH2+]CC1.
What is the InChIKey of [(2S)-oxolan-2-yl]-piperazin-4-ium-1-ylmethanone?
The InChIKey is UKESBLFBQANJHH-QMMMGPOBSA-O. The full InChI is InChI=1S/C9H16N2O2/c12-9(8-2-1-7-13-8)11-5-3-10-4-6-11/h8,10H,1-7H2/p+1/t8-/m0/s1.
What are the key properties of [(2S)-oxolan-2-yl]-piperazin-4-ium-1-ylmethanone?
[(2S)-oxolan-2-yl]-piperazin-4-ium-1-ylmethanone has a molecular weight of 185.25 g/mol, XLogP of -1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-oxolan-2-yl]-piperazin-4-ium-1-ylmethanone is sourced from PubChem (CID 7019012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).