1-but-1-en-2-yl-4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]piperazine

C20H34N4O — CID 70647802

IUPAC1-but-1-en-2-yl-4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]piperazine
SMILESC=C(CC)N1CCN(CCOCc2ccn(C3CCCCC3)n2)CC1
InChIInChI=1S/C20H34N4O/c1-3-18(2)23-13-11-22(12-14-23)15-16-25-17-19-9-10-24(21-19)20-7-5-4-6-8-20/h9-10,20H,2-8,11-17H2,1H3
InChIKeyIQDWCTAAFQMQOU-UHFFFAOYSA-N
MW346.52 g/mol
LogP3.45
Rot. Bonds8

About 1-but-1-en-2-yl-4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]piperazine

1-but-1-en-2-yl-4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]piperazine (PubChem CID 70647802) has the molecular formula C20H34N4O and a molecular weight of 346.52 g/mol. Its IUPAC name is 1-but-1-en-2-yl-4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]piperazine.

Molecular Properties

Compound Name1-but-1-en-2-yl-4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]piperazine
PubChem CID70647802
Molecular FormulaC20H34N4O
Molecular Weight346.52 g/mol
Exact Mass346.27
IUPAC Name1-but-1-en-2-yl-4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]piperazine
SMILESC=C(CC)N1CCN(CCOCc2ccn(C3CCCCC3)n2)CC1
InChIInChI=1S/C20H34N4O/c1-3-18(2)23-13-11-22(12-14-23)15-16-25-17-19-9-10-24(21-19)20-7-5-4-6-8-20/h9-10,20H,2-8,11-17H2,1H3
InChIKeyIQDWCTAAFQMQOU-UHFFFAOYSA-N
XLogP3.45
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-but-1-en-2-yl-4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]piperazine?
The IUPAC name of 1-but-1-en-2-yl-4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]piperazine (CID 70647802) is 1-but-1-en-2-yl-4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]piperazine.
What is the SMILES notation for 1-but-1-en-2-yl-4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]piperazine?
The canonical SMILES for 1-but-1-en-2-yl-4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]piperazine is C=C(CC)N1CCN(CCOCc2ccn(C3CCCCC3)n2)CC1.
What is the InChIKey of 1-but-1-en-2-yl-4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]piperazine?
The InChIKey is IQDWCTAAFQMQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O/c1-3-18(2)23-13-11-22(12-14-23)15-16-25-17-19-9-10-24(21-19)20-7-5-4-6-8-20/h9-10,20H,2-8,11-17H2,1H3.
What are the key properties of 1-but-1-en-2-yl-4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]piperazine?
1-but-1-en-2-yl-4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]piperazine has a molecular weight of 346.52 g/mol, XLogP of 3.45, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-en-2-yl-4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]piperazine is sourced from PubChem (CID 70647802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).