ethane;2-[4-[(5-propan-2-ylpyrazin-2-yl)methyl]piperazin-1-yl]ethanol

C16H30N4O — CID 145198083

IUPACethane;2-[4-[(5-propan-2-ylpyrazin-2-yl)methyl]piperazin-1-yl]ethanol
SMILESCC.CC(C)c1cnc(CN2CCN(CCO)CC2)cn1
InChIInChI=1S/C14H24N4O.C2H6/c1-12(2)14-10-15-13(9-16-14)11-18-5-3-17(4-6-18)7-8-19;1-2/h9-10,12,19H,3-8,11H2,1-2H3;1-2H3
InChIKeyVGJBLIGLLKFUAH-UHFFFAOYSA-N
MW294.44 g/mol
LogP1.74
Rot. Bonds5

About ethane;2-[4-[(5-propan-2-ylpyrazin-2-yl)methyl]piperazin-1-yl]ethanol

ethane;2-[4-[(5-propan-2-ylpyrazin-2-yl)methyl]piperazin-1-yl]ethanol (PubChem CID 145198083) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is ethane;2-[4-[(5-propan-2-ylpyrazin-2-yl)methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Nameethane;2-[4-[(5-propan-2-ylpyrazin-2-yl)methyl]piperazin-1-yl]ethanol
PubChem CID145198083
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Nameethane;2-[4-[(5-propan-2-ylpyrazin-2-yl)methyl]piperazin-1-yl]ethanol
SMILESCC.CC(C)c1cnc(CN2CCN(CCO)CC2)cn1
InChIInChI=1S/C14H24N4O.C2H6/c1-12(2)14-10-15-13(9-16-14)11-18-5-3-17(4-6-18)7-8-19;1-2/h9-10,12,19H,3-8,11H2,1-2H3;1-2H3
InChIKeyVGJBLIGLLKFUAH-UHFFFAOYSA-N
XLogP1.74
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[4-[(5-propan-2-ylpyrazin-2-yl)methyl]piperazin-1-yl]ethanol?
The IUPAC name of ethane;2-[4-[(5-propan-2-ylpyrazin-2-yl)methyl]piperazin-1-yl]ethanol (CID 145198083) is ethane;2-[4-[(5-propan-2-ylpyrazin-2-yl)methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for ethane;2-[4-[(5-propan-2-ylpyrazin-2-yl)methyl]piperazin-1-yl]ethanol?
The canonical SMILES for ethane;2-[4-[(5-propan-2-ylpyrazin-2-yl)methyl]piperazin-1-yl]ethanol is CC.CC(C)c1cnc(CN2CCN(CCO)CC2)cn1.
What is the InChIKey of ethane;2-[4-[(5-propan-2-ylpyrazin-2-yl)methyl]piperazin-1-yl]ethanol?
The InChIKey is VGJBLIGLLKFUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O.C2H6/c1-12(2)14-10-15-13(9-16-14)11-18-5-3-17(4-6-18)7-8-19;1-2/h9-10,12,19H,3-8,11H2,1-2H3;1-2H3.
What are the key properties of ethane;2-[4-[(5-propan-2-ylpyrazin-2-yl)methyl]piperazin-1-yl]ethanol?
ethane;2-[4-[(5-propan-2-ylpyrazin-2-yl)methyl]piperazin-1-yl]ethanol has a molecular weight of 294.44 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[4-[(5-propan-2-ylpyrazin-2-yl)methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 145198083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).