(1S)-1-(furan-2-yl)-1-piperazin-1-ylbutan-1-ol;dihydrochloride

C12H22Cl2N2O2 — CID 141168601

IUPAC(1S)-1-(furan-2-yl)-1-piperazin-1-ylbutan-1-ol;dihydrochloride
SMILESCCC[C@](O)(c1ccco1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C12H20N2O2.2ClH/c1-2-5-12(15,11-4-3-10-16-11)14-8-6-13-7-9-14;;/h3-4,10,13,15H,2,5-9H2,1H3;2*1H/t12-;;/m0../s1
InChIKeyGDSVCSQUVNXQBR-LTCKWSDVSA-N
MW297.23 g/mol
LogP1.97
Rot. Bonds4

About (1S)-1-(furan-2-yl)-1-piperazin-1-ylbutan-1-ol;dihydrochloride

(1S)-1-(furan-2-yl)-1-piperazin-1-ylbutan-1-ol;dihydrochloride (PubChem CID 141168601) has the molecular formula C12H22Cl2N2O2 and a molecular weight of 297.23 g/mol. Its IUPAC name is (1S)-1-(furan-2-yl)-1-piperazin-1-ylbutan-1-ol;dihydrochloride.

Molecular Properties

Compound Name(1S)-1-(furan-2-yl)-1-piperazin-1-ylbutan-1-ol;dihydrochloride
PubChem CID141168601
Molecular FormulaC12H22Cl2N2O2
Molecular Weight297.23 g/mol
Exact Mass296.11
IUPAC Name(1S)-1-(furan-2-yl)-1-piperazin-1-ylbutan-1-ol;dihydrochloride
SMILESCCC[C@](O)(c1ccco1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C12H20N2O2.2ClH/c1-2-5-12(15,11-4-3-10-16-11)14-8-6-13-7-9-14;;/h3-4,10,13,15H,2,5-9H2,1H3;2*1H/t12-;;/m0../s1
InChIKeyGDSVCSQUVNXQBR-LTCKWSDVSA-N
XLogP1.97
TPSA48.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(furan-2-yl)-1-piperazin-1-ylbutan-1-ol;dihydrochloride?
The IUPAC name of (1S)-1-(furan-2-yl)-1-piperazin-1-ylbutan-1-ol;dihydrochloride (CID 141168601) is (1S)-1-(furan-2-yl)-1-piperazin-1-ylbutan-1-ol;dihydrochloride.
What is the SMILES notation for (1S)-1-(furan-2-yl)-1-piperazin-1-ylbutan-1-ol;dihydrochloride?
The canonical SMILES for (1S)-1-(furan-2-yl)-1-piperazin-1-ylbutan-1-ol;dihydrochloride is CCC[C@](O)(c1ccco1)N1CCNCC1.Cl.Cl.
What is the InChIKey of (1S)-1-(furan-2-yl)-1-piperazin-1-ylbutan-1-ol;dihydrochloride?
The InChIKey is GDSVCSQUVNXQBR-LTCKWSDVSA-N. The full InChI is InChI=1S/C12H20N2O2.2ClH/c1-2-5-12(15,11-4-3-10-16-11)14-8-6-13-7-9-14;;/h3-4,10,13,15H,2,5-9H2,1H3;2*1H/t12-;;/m0../s1.
What are the key properties of (1S)-1-(furan-2-yl)-1-piperazin-1-ylbutan-1-ol;dihydrochloride?
(1S)-1-(furan-2-yl)-1-piperazin-1-ylbutan-1-ol;dihydrochloride has a molecular weight of 297.23 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(furan-2-yl)-1-piperazin-1-ylbutan-1-ol;dihydrochloride is sourced from PubChem (CID 141168601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).