2-(3-ethyl-2-phenylphenyl)-2-(1-hydroxycyclohexyl)-1-piperazin-1-ylethanone

C26H34N2O2 — CID 174510592

IUPAC2-(3-ethyl-2-phenylphenyl)-2-(1-hydroxycyclohexyl)-1-piperazin-1-ylethanone
SMILESCCc1cccc(C(C(=O)N2CCNCC2)C2(O)CCCCC2)c1-c1ccccc1
InChIInChI=1S/C26H34N2O2/c1-2-20-12-9-13-22(23(20)21-10-5-3-6-11-21)24(26(30)14-7-4-8-15-26)25(29)28-18-16-27-17-19-28/h3,5-6,9-13,24,27,30H,2,4,7-8,14-19H2,1H3
InChIKeyYZIWPLPIVOOHBE-UHFFFAOYSA-N
MW406.57 g/mol
LogP4.13
Rot. Bonds5

About 2-(3-ethyl-2-phenylphenyl)-2-(1-hydroxycyclohexyl)-1-piperazin-1-ylethanone

2-(3-ethyl-2-phenylphenyl)-2-(1-hydroxycyclohexyl)-1-piperazin-1-ylethanone (PubChem CID 174510592) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is 2-(3-ethyl-2-phenylphenyl)-2-(1-hydroxycyclohexyl)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(3-ethyl-2-phenylphenyl)-2-(1-hydroxycyclohexyl)-1-piperazin-1-ylethanone
PubChem CID174510592
Molecular FormulaC26H34N2O2
Molecular Weight406.57 g/mol
Exact Mass406.26
IUPAC Name2-(3-ethyl-2-phenylphenyl)-2-(1-hydroxycyclohexyl)-1-piperazin-1-ylethanone
SMILESCCc1cccc(C(C(=O)N2CCNCC2)C2(O)CCCCC2)c1-c1ccccc1
InChIInChI=1S/C26H34N2O2/c1-2-20-12-9-13-22(23(20)21-10-5-3-6-11-21)24(26(30)14-7-4-8-15-26)25(29)28-18-16-27-17-19-28/h3,5-6,9-13,24,27,30H,2,4,7-8,14-19H2,1H3
InChIKeyYZIWPLPIVOOHBE-UHFFFAOYSA-N
XLogP4.13
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-phenylphenyl)-2-(1-hydroxycyclohexyl)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(3-ethyl-2-phenylphenyl)-2-(1-hydroxycyclohexyl)-1-piperazin-1-ylethanone (CID 174510592) is 2-(3-ethyl-2-phenylphenyl)-2-(1-hydroxycyclohexyl)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(3-ethyl-2-phenylphenyl)-2-(1-hydroxycyclohexyl)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(3-ethyl-2-phenylphenyl)-2-(1-hydroxycyclohexyl)-1-piperazin-1-ylethanone is CCc1cccc(C(C(=O)N2CCNCC2)C2(O)CCCCC2)c1-c1ccccc1.
What is the InChIKey of 2-(3-ethyl-2-phenylphenyl)-2-(1-hydroxycyclohexyl)-1-piperazin-1-ylethanone?
The InChIKey is YZIWPLPIVOOHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O2/c1-2-20-12-9-13-22(23(20)21-10-5-3-6-11-21)24(26(30)14-7-4-8-15-26)25(29)28-18-16-27-17-19-28/h3,5-6,9-13,24,27,30H,2,4,7-8,14-19H2,1H3.
What are the key properties of 2-(3-ethyl-2-phenylphenyl)-2-(1-hydroxycyclohexyl)-1-piperazin-1-ylethanone?
2-(3-ethyl-2-phenylphenyl)-2-(1-hydroxycyclohexyl)-1-piperazin-1-ylethanone has a molecular weight of 406.57 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-phenylphenyl)-2-(1-hydroxycyclohexyl)-1-piperazin-1-ylethanone is sourced from PubChem (CID 174510592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).