1-piperidin-4-yl-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanol;dihydrochloride

C17H32Cl2N4O2 — CID 154920544

IUPAC1-piperidin-4-yl-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanol;dihydrochloride
SMILESCC(C)c1noc(C2CCN(CC(O)C3CCNCC3)CC2)n1.Cl.Cl
InChIInChI=1S/C17H30N4O2.2ClH/c1-12(2)16-19-17(23-20-16)14-5-9-21(10-6-14)11-15(22)13-3-7-18-8-4-13;;/h12-15,18,22H,3-11H2,1-2H3;2*1H
InChIKeyJJKLFGUHTNIPNU-UHFFFAOYSA-N
MW395.38 g/mol
LogP2.58
Rot. Bonds5

About 1-piperidin-4-yl-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanol;dihydrochloride

1-piperidin-4-yl-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanol;dihydrochloride (PubChem CID 154920544) has the molecular formula C17H32Cl2N4O2 and a molecular weight of 395.38 g/mol. Its IUPAC name is 1-piperidin-4-yl-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanol;dihydrochloride.

Molecular Properties

Compound Name1-piperidin-4-yl-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanol;dihydrochloride
PubChem CID154920544
Molecular FormulaC17H32Cl2N4O2
Molecular Weight395.38 g/mol
Exact Mass394.19
IUPAC Name1-piperidin-4-yl-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanol;dihydrochloride
SMILESCC(C)c1noc(C2CCN(CC(O)C3CCNCC3)CC2)n1.Cl.Cl
InChIInChI=1S/C17H30N4O2.2ClH/c1-12(2)16-19-17(23-20-16)14-5-9-21(10-6-14)11-15(22)13-3-7-18-8-4-13;;/h12-15,18,22H,3-11H2,1-2H3;2*1H
InChIKeyJJKLFGUHTNIPNU-UHFFFAOYSA-N
XLogP2.58
TPSA74.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanol;dihydrochloride?
The IUPAC name of 1-piperidin-4-yl-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanol;dihydrochloride (CID 154920544) is 1-piperidin-4-yl-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanol;dihydrochloride.
What is the SMILES notation for 1-piperidin-4-yl-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanol;dihydrochloride?
The canonical SMILES for 1-piperidin-4-yl-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanol;dihydrochloride is CC(C)c1noc(C2CCN(CC(O)C3CCNCC3)CC2)n1.Cl.Cl.
What is the InChIKey of 1-piperidin-4-yl-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanol;dihydrochloride?
The InChIKey is JJKLFGUHTNIPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2.2ClH/c1-12(2)16-19-17(23-20-16)14-5-9-21(10-6-14)11-15(22)13-3-7-18-8-4-13;;/h12-15,18,22H,3-11H2,1-2H3;2*1H.
What are the key properties of 1-piperidin-4-yl-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanol;dihydrochloride?
1-piperidin-4-yl-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanol;dihydrochloride has a molecular weight of 395.38 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanol;dihydrochloride is sourced from PubChem (CID 154920544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).