2-[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol

C12H22N4O2 — CID 45250157

IUPAC2-[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol
SMILESCCCc1noc(CN2CCN(CCO)CC2)n1
InChIInChI=1S/C12H22N4O2/c1-2-3-11-13-12(18-14-11)10-16-6-4-15(5-7-16)8-9-17/h17H,2-10H2,1H3
InChIKeyBYIZSBHLNUEZSV-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.13
Rot. Bonds6

About 2-[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol

2-[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol (PubChem CID 45250157) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol
PubChem CID45250157
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name2-[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol
SMILESCCCc1noc(CN2CCN(CCO)CC2)n1
InChIInChI=1S/C12H22N4O2/c1-2-3-11-13-12(18-14-11)10-16-6-4-15(5-7-16)8-9-17/h17H,2-10H2,1H3
InChIKeyBYIZSBHLNUEZSV-UHFFFAOYSA-N
XLogP0.13
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol (CID 45250157) is 2-[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol is CCCc1noc(CN2CCN(CCO)CC2)n1.
What is the InChIKey of 2-[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol?
The InChIKey is BYIZSBHLNUEZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-2-3-11-13-12(18-14-11)10-16-6-4-15(5-7-16)8-9-17/h17H,2-10H2,1H3.
What are the key properties of 2-[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol?
2-[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol has a molecular weight of 254.33 g/mol, XLogP of 0.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 45250157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).