2-[(2R)-1-(2-methylpropyl)-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol

C19H28N2O — CID 98587048

IUPAC2-[(2R)-1-(2-methylpropyl)-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol
SMILESCC(C)CN1CCN(CC#Cc2ccccc2)C[C@H]1CCO
InChIInChI=1S/C19H28N2O/c1-17(2)15-21-13-12-20(16-19(21)10-14-22)11-6-9-18-7-4-3-5-8-18/h3-5,7-8,17,19,22H,10-16H2,1-2H3/t19-/m1/s1
InChIKeyOHWKCBKWYJNOHB-LJQANCHMSA-N
MW300.45 g/mol
LogP2.06
Rot. Bonds5

About 2-[(2R)-1-(2-methylpropyl)-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol

2-[(2R)-1-(2-methylpropyl)-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol (PubChem CID 98587048) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 2-[(2R)-1-(2-methylpropyl)-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-1-(2-methylpropyl)-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol
PubChem CID98587048
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name2-[(2R)-1-(2-methylpropyl)-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol
SMILESCC(C)CN1CCN(CC#Cc2ccccc2)C[C@H]1CCO
InChIInChI=1S/C19H28N2O/c1-17(2)15-21-13-12-20(16-19(21)10-14-22)11-6-9-18-7-4-3-5-8-18/h3-5,7-8,17,19,22H,10-16H2,1-2H3/t19-/m1/s1
InChIKeyOHWKCBKWYJNOHB-LJQANCHMSA-N
XLogP2.06
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S)-1-(3-methylbutyl)-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol
CID 51627138
2-[(2R)-4-benzyl-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 98575530
2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol
CID 51634123
2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol
CID 98575466
2-[(2S)-1-(2-methylpropyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]ethanol
CID 29029378
2-[4-[(2-methylphenyl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 45208361
2-[(2S)-1-(3-methylbutyl)-4-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 29208638
2-[1-(2-methylpropyl)-4-[(4-propan-2-ylphenyl)methyl]piperazin-2-yl]ethanol
CID 45238796
2-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 45238451
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)-4-(1,3-benzodioxol-4-ylmethyl)-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 93233456

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(2-methylpropyl)-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-1-(2-methylpropyl)-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol (CID 98587048) is 2-[(2R)-1-(2-methylpropyl)-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-1-(2-methylpropyl)-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-1-(2-methylpropyl)-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol is CC(C)CN1CCN(CC#Cc2ccccc2)C[C@H]1CCO.
What is the InChIKey of 2-[(2R)-1-(2-methylpropyl)-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol?
The InChIKey is OHWKCBKWYJNOHB-LJQANCHMSA-N. The full InChI is InChI=1S/C19H28N2O/c1-17(2)15-21-13-12-20(16-19(21)10-14-22)11-6-9-18-7-4-3-5-8-18/h3-5,7-8,17,19,22H,10-16H2,1-2H3/t19-/m1/s1.
What are the key properties of 2-[(2R)-1-(2-methylpropyl)-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol?
2-[(2R)-1-(2-methylpropyl)-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol has a molecular weight of 300.45 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(2-methylpropyl)-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 98587048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).