2-cyclohexyl-1-[(1-ethylpyrazol-4-yl)methyl]piperazine

C16H28N4 — CID 64846043

IUPAC2-cyclohexyl-1-[(1-ethylpyrazol-4-yl)methyl]piperazine
SMILESCCn1cc(CN2CCNCC2C2CCCCC2)cn1
InChIInChI=1S/C16H28N4/c1-2-20-13-14(10-18-20)12-19-9-8-17-11-16(19)15-6-4-3-5-7-15/h10,13,15-17H,2-9,11-12H2,1H3
InChIKeyCJGTZWKPYBYMLY-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.26
Rot. Bonds4

About 2-cyclohexyl-1-[(1-ethylpyrazol-4-yl)methyl]piperazine

2-cyclohexyl-1-[(1-ethylpyrazol-4-yl)methyl]piperazine (PubChem CID 64846043) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-cyclohexyl-1-[(1-ethylpyrazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name2-cyclohexyl-1-[(1-ethylpyrazol-4-yl)methyl]piperazine
PubChem CID64846043
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name2-cyclohexyl-1-[(1-ethylpyrazol-4-yl)methyl]piperazine
SMILESCCn1cc(CN2CCNCC2C2CCCCC2)cn1
InChIInChI=1S/C16H28N4/c1-2-20-13-14(10-18-20)12-19-9-8-17-11-16(19)15-6-4-3-5-7-15/h10,13,15-17H,2-9,11-12H2,1H3
InChIKeyCJGTZWKPYBYMLY-UHFFFAOYSA-N
XLogP2.26
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[(1-ethylpyrazol-4-yl)methyl]piperazine?
The IUPAC name of 2-cyclohexyl-1-[(1-ethylpyrazol-4-yl)methyl]piperazine (CID 64846043) is 2-cyclohexyl-1-[(1-ethylpyrazol-4-yl)methyl]piperazine.
What is the SMILES notation for 2-cyclohexyl-1-[(1-ethylpyrazol-4-yl)methyl]piperazine?
The canonical SMILES for 2-cyclohexyl-1-[(1-ethylpyrazol-4-yl)methyl]piperazine is CCn1cc(CN2CCNCC2C2CCCCC2)cn1.
What is the InChIKey of 2-cyclohexyl-1-[(1-ethylpyrazol-4-yl)methyl]piperazine?
The InChIKey is CJGTZWKPYBYMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-2-20-13-14(10-18-20)12-19-9-8-17-11-16(19)15-6-4-3-5-7-15/h10,13,15-17H,2-9,11-12H2,1H3.
What are the key properties of 2-cyclohexyl-1-[(1-ethylpyrazol-4-yl)methyl]piperazine?
2-cyclohexyl-1-[(1-ethylpyrazol-4-yl)methyl]piperazine has a molecular weight of 276.43 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[(1-ethylpyrazol-4-yl)methyl]piperazine is sourced from PubChem (CID 64846043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).