1-(2-methoxyethyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperazine

C15H28N4O — CID 77098022

IUPAC1-(2-methoxyethyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperazine
SMILESCCCn1ncc(CN2CCN(CCOC)CC2)c1C
InChIInChI=1S/C15H28N4O/c1-4-5-19-14(2)15(12-16-19)13-18-8-6-17(7-9-18)10-11-20-3/h12H,4-11,13H2,1-3H3
InChIKeyRCSMKWANLVZVDZ-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.37
Rot. Bonds7

About 1-(2-methoxyethyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperazine

1-(2-methoxyethyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperazine (PubChem CID 77098022) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperazine
PubChem CID77098022
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name1-(2-methoxyethyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperazine
SMILESCCCn1ncc(CN2CCN(CCOC)CC2)c1C
InChIInChI=1S/C15H28N4O/c1-4-5-19-14(2)15(12-16-19)13-18-8-6-17(7-9-18)10-11-20-3/h12H,4-11,13H2,1-3H3
InChIKeyRCSMKWANLVZVDZ-UHFFFAOYSA-N
XLogP1.37
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperazine?
The IUPAC name of 1-(2-methoxyethyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperazine (CID 77098022) is 1-(2-methoxyethyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperazine.
What is the SMILES notation for 1-(2-methoxyethyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperazine?
The canonical SMILES for 1-(2-methoxyethyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperazine is CCCn1ncc(CN2CCN(CCOC)CC2)c1C.
What is the InChIKey of 1-(2-methoxyethyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperazine?
The InChIKey is RCSMKWANLVZVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-4-5-19-14(2)15(12-16-19)13-18-8-6-17(7-9-18)10-11-20-3/h12H,4-11,13H2,1-3H3.
What are the key properties of 1-(2-methoxyethyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperazine?
1-(2-methoxyethyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperazine has a molecular weight of 280.42 g/mol, XLogP of 1.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperazine is sourced from PubChem (CID 77098022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).