2-[(2R)-4-benzyl-1-(2-methylpropyl)piperazin-2-yl]ethanol

C17H28N2O — CID 98575530

IUPAC2-[(2R)-4-benzyl-1-(2-methylpropyl)piperazin-2-yl]ethanol
SMILESCC(C)CN1CCN(Cc2ccccc2)C[C@H]1CCO
InChIInChI=1S/C17H28N2O/c1-15(2)12-19-10-9-18(14-17(19)8-11-20)13-16-6-4-3-5-7-16/h3-7,15,17,20H,8-14H2,1-2H3/t17-/m1/s1
InChIKeyQLQUMNCBHMYGCX-QGZVFWFLSA-N
MW276.42 g/mol
LogP2.21
Rot. Bonds6

About 2-[(2R)-4-benzyl-1-(2-methylpropyl)piperazin-2-yl]ethanol

2-[(2R)-4-benzyl-1-(2-methylpropyl)piperazin-2-yl]ethanol (PubChem CID 98575530) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[(2R)-4-benzyl-1-(2-methylpropyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-4-benzyl-1-(2-methylpropyl)piperazin-2-yl]ethanol
PubChem CID98575530
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-[(2R)-4-benzyl-1-(2-methylpropyl)piperazin-2-yl]ethanol
SMILESCC(C)CN1CCN(Cc2ccccc2)C[C@H]1CCO
InChIInChI=1S/C17H28N2O/c1-15(2)12-19-10-9-18(14-17(19)8-11-20)13-16-6-4-3-5-7-16/h3-7,15,17,20H,8-14H2,1-2H3/t17-/m1/s1
InChIKeyQLQUMNCBHMYGCX-QGZVFWFLSA-N
XLogP2.21
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-methylpropyl)-4-[(4-propan-2-ylphenyl)methyl]piperazin-2-yl]ethanol
CID 45238796
2-[4-[(2-methylphenyl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 45208361
2-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 45238451
2-[(2R)-1-(2-methylpropyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-yl]ethanol
CID 98586542
2-[(2S)-4-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 51635094
2-[(2S)-1-(2-methylpropyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]ethanol
CID 29029378
2-[(2R)-1-(2-methylpropyl)-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol
CID 98587048
2-[4-[(5-methylfuran-2-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 45231803
2-[(2R)-1-(2-methylpropyl)-4-[(2-prop-2-enoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 98586705
2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(2-methylpropyl)piperazin-2-yl]ethanol
CID 51622986
2-[(2R)-4-(1,3-benzodioxol-4-ylmethyl)-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 93233456
2-[(2S)-1-benzyl-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol
CID 92629095

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-benzyl-1-(2-methylpropyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-4-benzyl-1-(2-methylpropyl)piperazin-2-yl]ethanol (CID 98575530) is 2-[(2R)-4-benzyl-1-(2-methylpropyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-4-benzyl-1-(2-methylpropyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-4-benzyl-1-(2-methylpropyl)piperazin-2-yl]ethanol is CC(C)CN1CCN(Cc2ccccc2)C[C@H]1CCO.
What is the InChIKey of 2-[(2R)-4-benzyl-1-(2-methylpropyl)piperazin-2-yl]ethanol?
The InChIKey is QLQUMNCBHMYGCX-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H28N2O/c1-15(2)12-19-10-9-18(14-17(19)8-11-20)13-16-6-4-3-5-7-16/h3-7,15,17,20H,8-14H2,1-2H3/t17-/m1/s1.
What are the key properties of 2-[(2R)-4-benzyl-1-(2-methylpropyl)piperazin-2-yl]ethanol?
2-[(2R)-4-benzyl-1-(2-methylpropyl)piperazin-2-yl]ethanol has a molecular weight of 276.42 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-benzyl-1-(2-methylpropyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 98575530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).