[(2S)-1-benzyl-4-(2-phenylethyl)piperazin-2-yl]methanol

C20H26N2O — CID 73352014

IUPAC[(2S)-1-benzyl-4-(2-phenylethyl)piperazin-2-yl]methanol
SMILESOC[C@@H]1CN(CCc2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C20H26N2O/c23-17-20-16-21(12-11-18-7-3-1-4-8-18)13-14-22(20)15-19-9-5-2-6-10-19/h1-10,20,23H,11-17H2/t20-/m0/s1
InChIKeyFBMYKPUAQAWIQE-FQEVSTJZSA-N
MW310.44 g/mol
LogP2.41
Rot. Bonds6

About [(2S)-1-benzyl-4-(2-phenylethyl)piperazin-2-yl]methanol

[(2S)-1-benzyl-4-(2-phenylethyl)piperazin-2-yl]methanol (PubChem CID 73352014) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is [(2S)-1-benzyl-4-(2-phenylethyl)piperazin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-benzyl-4-(2-phenylethyl)piperazin-2-yl]methanol
PubChem CID73352014
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name[(2S)-1-benzyl-4-(2-phenylethyl)piperazin-2-yl]methanol
SMILESOC[C@@H]1CN(CCc2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C20H26N2O/c23-17-20-16-21(12-11-18-7-3-1-4-8-18)13-14-22(20)15-19-9-5-2-6-10-19/h1-10,20,23H,11-17H2/t20-/m0/s1
InChIKeyFBMYKPUAQAWIQE-FQEVSTJZSA-N
XLogP2.41
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-benzyl-4-(2-phenylethyl)piperazin-2-yl]methanol?
The IUPAC name of [(2S)-1-benzyl-4-(2-phenylethyl)piperazin-2-yl]methanol (CID 73352014) is [(2S)-1-benzyl-4-(2-phenylethyl)piperazin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-benzyl-4-(2-phenylethyl)piperazin-2-yl]methanol?
The canonical SMILES for [(2S)-1-benzyl-4-(2-phenylethyl)piperazin-2-yl]methanol is OC[C@@H]1CN(CCc2ccccc2)CCN1Cc1ccccc1.
What is the InChIKey of [(2S)-1-benzyl-4-(2-phenylethyl)piperazin-2-yl]methanol?
The InChIKey is FBMYKPUAQAWIQE-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H26N2O/c23-17-20-16-21(12-11-18-7-3-1-4-8-18)13-14-22(20)15-19-9-5-2-6-10-19/h1-10,20,23H,11-17H2/t20-/m0/s1.
What are the key properties of [(2S)-1-benzyl-4-(2-phenylethyl)piperazin-2-yl]methanol?
[(2S)-1-benzyl-4-(2-phenylethyl)piperazin-2-yl]methanol has a molecular weight of 310.44 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-benzyl-4-(2-phenylethyl)piperazin-2-yl]methanol is sourced from PubChem (CID 73352014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).