2-[(2S)-4-methyl-1-[(4-phenylphenyl)methyl]piperazin-2-yl]ethanol

C20H26N2O — CID 90655535

IUPAC2-[(2S)-4-methyl-1-[(4-phenylphenyl)methyl]piperazin-2-yl]ethanol
SMILESCN1CCN(Cc2ccc(-c3ccccc3)cc2)[C@@H](CCO)C1
InChIInChI=1S/C20H26N2O/c1-21-12-13-22(20(16-21)11-14-23)15-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-10,20,23H,11-16H2,1H3/t20-/m0/s1
InChIKeyRNDLOMZZZOGTKN-FQEVSTJZSA-N
MW310.44 g/mol
LogP2.85
Rot. Bonds5

About 2-[(2S)-4-methyl-1-[(4-phenylphenyl)methyl]piperazin-2-yl]ethanol

2-[(2S)-4-methyl-1-[(4-phenylphenyl)methyl]piperazin-2-yl]ethanol (PubChem CID 90655535) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-[(2S)-4-methyl-1-[(4-phenylphenyl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-4-methyl-1-[(4-phenylphenyl)methyl]piperazin-2-yl]ethanol
PubChem CID90655535
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name2-[(2S)-4-methyl-1-[(4-phenylphenyl)methyl]piperazin-2-yl]ethanol
SMILESCN1CCN(Cc2ccc(-c3ccccc3)cc2)[C@@H](CCO)C1
InChIInChI=1S/C20H26N2O/c1-21-12-13-22(20(16-21)11-14-23)15-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-10,20,23H,11-16H2,1H3/t20-/m0/s1
InChIKeyRNDLOMZZZOGTKN-FQEVSTJZSA-N
XLogP2.85
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-methyl-1-[(4-phenylphenyl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-4-methyl-1-[(4-phenylphenyl)methyl]piperazin-2-yl]ethanol (CID 90655535) is 2-[(2S)-4-methyl-1-[(4-phenylphenyl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-4-methyl-1-[(4-phenylphenyl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-4-methyl-1-[(4-phenylphenyl)methyl]piperazin-2-yl]ethanol is CN1CCN(Cc2ccc(-c3ccccc3)cc2)[C@@H](CCO)C1.
What is the InChIKey of 2-[(2S)-4-methyl-1-[(4-phenylphenyl)methyl]piperazin-2-yl]ethanol?
The InChIKey is RNDLOMZZZOGTKN-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H26N2O/c1-21-12-13-22(20(16-21)11-14-23)15-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-10,20,23H,11-16H2,1H3/t20-/m0/s1.
What are the key properties of 2-[(2S)-4-methyl-1-[(4-phenylphenyl)methyl]piperazin-2-yl]ethanol?
2-[(2S)-4-methyl-1-[(4-phenylphenyl)methyl]piperazin-2-yl]ethanol has a molecular weight of 310.44 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-methyl-1-[(4-phenylphenyl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 90655535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).