2-[(2R)-2-phenyl-2-piperazin-1-ylethyl]phenol

C18H22N2O — CID 46890321

IUPAC2-[(2R)-2-phenyl-2-piperazin-1-ylethyl]phenol
SMILESOc1ccccc1C[C@H](c1ccccc1)N1CCNCC1
InChIInChI=1S/C18H22N2O/c21-18-9-5-4-8-16(18)14-17(15-6-2-1-3-7-15)20-12-10-19-11-13-20/h1-9,17,19,21H,10-14H2/t17-/m1/s1
InChIKeySBKGLFTUHHUCII-QGZVFWFLSA-N
MW282.39 g/mol
LogP2.58
Rot. Bonds4

About 2-[(2R)-2-phenyl-2-piperazin-1-ylethyl]phenol

2-[(2R)-2-phenyl-2-piperazin-1-ylethyl]phenol (PubChem CID 46890321) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-[(2R)-2-phenyl-2-piperazin-1-ylethyl]phenol.

Molecular Properties

Compound Name2-[(2R)-2-phenyl-2-piperazin-1-ylethyl]phenol
PubChem CID46890321
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-[(2R)-2-phenyl-2-piperazin-1-ylethyl]phenol
SMILESOc1ccccc1C[C@H](c1ccccc1)N1CCNCC1
InChIInChI=1S/C18H22N2O/c21-18-9-5-4-8-16(18)14-17(15-6-2-1-3-7-15)20-12-10-19-11-13-20/h1-9,17,19,21H,10-14H2/t17-/m1/s1
InChIKeySBKGLFTUHHUCII-QGZVFWFLSA-N
XLogP2.58
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-phenyl-2-piperazin-1-ylethyl]phenol?
The IUPAC name of 2-[(2R)-2-phenyl-2-piperazin-1-ylethyl]phenol (CID 46890321) is 2-[(2R)-2-phenyl-2-piperazin-1-ylethyl]phenol.
What is the SMILES notation for 2-[(2R)-2-phenyl-2-piperazin-1-ylethyl]phenol?
The canonical SMILES for 2-[(2R)-2-phenyl-2-piperazin-1-ylethyl]phenol is Oc1ccccc1C[C@H](c1ccccc1)N1CCNCC1.
What is the InChIKey of 2-[(2R)-2-phenyl-2-piperazin-1-ylethyl]phenol?
The InChIKey is SBKGLFTUHHUCII-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H22N2O/c21-18-9-5-4-8-16(18)14-17(15-6-2-1-3-7-15)20-12-10-19-11-13-20/h1-9,17,19,21H,10-14H2/t17-/m1/s1.
What are the key properties of 2-[(2R)-2-phenyl-2-piperazin-1-ylethyl]phenol?
2-[(2R)-2-phenyl-2-piperazin-1-ylethyl]phenol has a molecular weight of 282.39 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-phenyl-2-piperazin-1-ylethyl]phenol is sourced from PubChem (CID 46890321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).