(5-chlorofuran-2-yl)-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone

C13H19ClN2O3 — CID 95346804

IUPAC(5-chlorofuran-2-yl)-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone
SMILESCC[C@H](O)CN1CCN(C(=O)c2ccc(Cl)o2)CC1
InChIInChI=1S/C13H19ClN2O3/c1-2-10(17)9-15-5-7-16(8-6-15)13(18)11-3-4-12(14)19-11/h3-4,10,17H,2,5-9H2,1H3/t10-/m0/s1
InChIKeyZXWUUDQXEDCUPC-JTQLQIEISA-N
MW286.76 g/mol
LogP1.46
Rot. Bonds4

About (5-chlorofuran-2-yl)-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone

(5-chlorofuran-2-yl)-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone (PubChem CID 95346804) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is (5-chlorofuran-2-yl)-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-chlorofuran-2-yl)-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone
PubChem CID95346804
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Name(5-chlorofuran-2-yl)-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone
SMILESCC[C@H](O)CN1CCN(C(=O)c2ccc(Cl)o2)CC1
InChIInChI=1S/C13H19ClN2O3/c1-2-10(17)9-15-5-7-16(8-6-15)13(18)11-3-4-12(14)19-11/h3-4,10,17H,2,5-9H2,1H3/t10-/m0/s1
InChIKeyZXWUUDQXEDCUPC-JTQLQIEISA-N
XLogP1.46
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-chlorofuran-2-yl)-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone?
The IUPAC name of (5-chlorofuran-2-yl)-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone (CID 95346804) is (5-chlorofuran-2-yl)-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-chlorofuran-2-yl)-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone?
The canonical SMILES for (5-chlorofuran-2-yl)-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone is CC[C@H](O)CN1CCN(C(=O)c2ccc(Cl)o2)CC1.
What is the InChIKey of (5-chlorofuran-2-yl)-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone?
The InChIKey is ZXWUUDQXEDCUPC-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19ClN2O3/c1-2-10(17)9-15-5-7-16(8-6-15)13(18)11-3-4-12(14)19-11/h3-4,10,17H,2,5-9H2,1H3/t10-/m0/s1.
What are the key properties of (5-chlorofuran-2-yl)-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone?
(5-chlorofuran-2-yl)-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone has a molecular weight of 286.76 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorofuran-2-yl)-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone is sourced from PubChem (CID 95346804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).