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

C17H27FN2O — CID 51622986

IUPAC2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(2-methylpropyl)piperazin-2-yl]ethanol
SMILESCC(C)CN1CCN(Cc2ccc(F)cc2)[C@H](CCO)C1
InChIInChI=1S/C17H27FN2O/c1-14(2)11-19-8-9-20(17(13-19)7-10-21)12-15-3-5-16(18)6-4-15/h3-6,14,17,21H,7-13H2,1-2H3/t17-/m1/s1
InChIKeySQDRXXFYTSKTKS-QGZVFWFLSA-N
MW294.41 g/mol
LogP2.35
Rot. Bonds6

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

2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(2-methylpropyl)piperazin-2-yl]ethanol (PubChem CID 51622986) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is 2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(2-methylpropyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(2-methylpropyl)piperazin-2-yl]ethanol
PubChem CID51622986
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(2-methylpropyl)piperazin-2-yl]ethanol
SMILESCC(C)CN1CCN(Cc2ccc(F)cc2)[C@H](CCO)C1
InChIInChI=1S/C17H27FN2O/c1-14(2)11-19-8-9-20(17(13-19)7-10-21)12-15-3-5-16(18)6-4-15/h3-6,14,17,21H,7-13H2,1-2H3/t17-/m1/s1
InChIKeySQDRXXFYTSKTKS-QGZVFWFLSA-N
XLogP2.35
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-1-[(3,4-difluorophenyl)methyl]-4-(2-methylpropyl)piperazin-2-yl]ethanol
CID 51622355
4-[[4-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 45177405
2-[4-(cyclopropylmethyl)-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethanol
CID 45210114
2-[(2S)-1-[(4-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 51635847
2-[[(3S)-4-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 30868105
2-[4-[[4-(difluoromethoxy)phenyl]methyl]-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethanol
CID 45205105
2-[(2S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-(2-methylpropyl)piperazin-2-yl]ethanol
CID 28954845
2-[(2R)-4-benzyl-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 98575530
2-[1-(2-methylpropyl)-4-[(4-propan-2-ylphenyl)methyl]piperazin-2-yl]ethanol
CID 45238796
2-chloro-4-[[4-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 45182941
2-[1-[(4-fluorophenyl)methyl]-4-[(2-methyl-1H-imidazol-5-yl)methyl]piperazin-2-yl]ethanol
CID 45185727
2-[4-cyclohexyl-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethanol
CID 45233166

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(2-methylpropyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(2-methylpropyl)piperazin-2-yl]ethanol (CID 51622986) is 2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(2-methylpropyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(2-methylpropyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(2-methylpropyl)piperazin-2-yl]ethanol is CC(C)CN1CCN(Cc2ccc(F)cc2)[C@H](CCO)C1.
What is the InChIKey of 2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(2-methylpropyl)piperazin-2-yl]ethanol?
The InChIKey is SQDRXXFYTSKTKS-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-14(2)11-19-8-9-20(17(13-19)7-10-21)12-15-3-5-16(18)6-4-15/h3-6,14,17,21H,7-13H2,1-2H3/t17-/m1/s1.
What are the key properties of 2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(2-methylpropyl)piperazin-2-yl]ethanol?
2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(2-methylpropyl)piperazin-2-yl]ethanol has a molecular weight of 294.41 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(2-methylpropyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 51622986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).