(2R,3R)-3-(4-phenylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol

C20H24N2O — CID 70619937

IUPAC(2R,3R)-3-(4-phenylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESO[C@@H]1Cc2ccccc2CC1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H24N2O/c23-20-15-17-7-5-4-6-16(17)14-19(20)22-12-10-21(11-13-22)18-8-2-1-3-9-18/h1-9,19-20,23H,10-15H2/t19?,20-/m1/s1
InChIKeyXZWLPZZTDUEMJT-GFOWMXPYSA-N
MW308.43 g/mol
LogP2.34
Rot. Bonds2

About (2R,3R)-3-(4-phenylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol

(2R,3R)-3-(4-phenylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol (PubChem CID 70619937) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is (2R,3R)-3-(4-phenylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-(4-phenylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
PubChem CID70619937
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name(2R,3R)-3-(4-phenylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESO[C@@H]1Cc2ccccc2CC1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H24N2O/c23-20-15-17-7-5-4-6-16(17)14-19(20)22-12-10-21(11-13-22)18-8-2-1-3-9-18/h1-9,19-20,23H,10-15H2/t19?,20-/m1/s1
InChIKeyXZWLPZZTDUEMJT-GFOWMXPYSA-N
XLogP2.34
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(4-phenylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol?
The IUPAC name of (2R,3R)-3-(4-phenylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol (CID 70619937) is (2R,3R)-3-(4-phenylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol.
What is the SMILES notation for (2R,3R)-3-(4-phenylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol?
The canonical SMILES for (2R,3R)-3-(4-phenylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol is O[C@@H]1Cc2ccccc2CC1N1CCN(c2ccccc2)CC1.
What is the InChIKey of (2R,3R)-3-(4-phenylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol?
The InChIKey is XZWLPZZTDUEMJT-GFOWMXPYSA-N. The full InChI is InChI=1S/C20H24N2O/c23-20-15-17-7-5-4-6-16(17)14-19(20)22-12-10-21(11-13-22)18-8-2-1-3-9-18/h1-9,19-20,23H,10-15H2/t19?,20-/m1/s1.
What are the key properties of (2R,3R)-3-(4-phenylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol?
(2R,3R)-3-(4-phenylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol has a molecular weight of 308.43 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(4-phenylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 70619937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).