1-cyclohexyl-1-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpropan-2-one

C21H32N2O3 — CID 10247985

IUPAC1-cyclohexyl-1-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpropan-2-one
SMILESO=C(CN1CCN(CCO)CC1)C(O)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C21H32N2O3/c24-16-15-22-11-13-23(14-12-22)17-20(25)21(26,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1,3-4,7-8,19,24,26H,2,5-6,9-17H2
InChIKeyBOLUSSBWZNZYLY-UHFFFAOYSA-N
MW360.50 g/mol
LogP1.63
Rot. Bonds7

About 1-cyclohexyl-1-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpropan-2-one

1-cyclohexyl-1-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpropan-2-one (PubChem CID 10247985) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is 1-cyclohexyl-1-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpropan-2-one.

Molecular Properties

Compound Name1-cyclohexyl-1-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpropan-2-one
PubChem CID10247985
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Name1-cyclohexyl-1-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpropan-2-one
SMILESO=C(CN1CCN(CCO)CC1)C(O)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C21H32N2O3/c24-16-15-22-11-13-23(14-12-22)17-20(25)21(26,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1,3-4,7-8,19,24,26H,2,5-6,9-17H2
InChIKeyBOLUSSBWZNZYLY-UHFFFAOYSA-N
XLogP1.63
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpropan-2-one?
The IUPAC name of 1-cyclohexyl-1-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpropan-2-one (CID 10247985) is 1-cyclohexyl-1-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpropan-2-one.
What is the SMILES notation for 1-cyclohexyl-1-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpropan-2-one?
The canonical SMILES for 1-cyclohexyl-1-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpropan-2-one is O=C(CN1CCN(CCO)CC1)C(O)(c1ccccc1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpropan-2-one?
The InChIKey is BOLUSSBWZNZYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c24-16-15-22-11-13-23(14-12-22)17-20(25)21(26,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1,3-4,7-8,19,24,26H,2,5-6,9-17H2.
What are the key properties of 1-cyclohexyl-1-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpropan-2-one?
1-cyclohexyl-1-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpropan-2-one has a molecular weight of 360.50 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpropan-2-one is sourced from PubChem (CID 10247985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).