(1R,2R)-1-phenyl-2-piperazin-1-yl-3,4-dihydro-2H-naphthalen-1-ol

C20H24N2O — CID 54250565

IUPAC(1R,2R)-1-phenyl-2-piperazin-1-yl-3,4-dihydro-2H-naphthalen-1-ol
SMILESO[C@]1(c2ccccc2)c2ccccc2CC[C@H]1N1CCNCC1
InChIInChI=1S/C20H24N2O/c23-20(17-7-2-1-3-8-17)18-9-5-4-6-16(18)10-11-19(20)22-14-12-21-13-15-22/h1-9,19,21,23H,10-15H2/t19-,20-/m1/s1
InChIKeyQWKXFGQWRMHOHU-WOJBJXKFSA-N
MW308.43 g/mol
LogP2.14
Rot. Bonds2

About (1R,2R)-1-phenyl-2-piperazin-1-yl-3,4-dihydro-2H-naphthalen-1-ol

(1R,2R)-1-phenyl-2-piperazin-1-yl-3,4-dihydro-2H-naphthalen-1-ol (PubChem CID 54250565) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is (1R,2R)-1-phenyl-2-piperazin-1-yl-3,4-dihydro-2H-naphthalen-1-ol.

Molecular Properties

Compound Name(1R,2R)-1-phenyl-2-piperazin-1-yl-3,4-dihydro-2H-naphthalen-1-ol
PubChem CID54250565
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name(1R,2R)-1-phenyl-2-piperazin-1-yl-3,4-dihydro-2H-naphthalen-1-ol
SMILESO[C@]1(c2ccccc2)c2ccccc2CC[C@H]1N1CCNCC1
InChIInChI=1S/C20H24N2O/c23-20(17-7-2-1-3-8-17)18-9-5-4-6-16(18)10-11-19(20)22-14-12-21-13-15-22/h1-9,19,21,23H,10-15H2/t19-,20-/m1/s1
InChIKeyQWKXFGQWRMHOHU-WOJBJXKFSA-N
XLogP2.14
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-phenyl-2-piperazin-1-yl-3,4-dihydro-2H-naphthalen-1-ol?
The IUPAC name of (1R,2R)-1-phenyl-2-piperazin-1-yl-3,4-dihydro-2H-naphthalen-1-ol (CID 54250565) is (1R,2R)-1-phenyl-2-piperazin-1-yl-3,4-dihydro-2H-naphthalen-1-ol.
What is the SMILES notation for (1R,2R)-1-phenyl-2-piperazin-1-yl-3,4-dihydro-2H-naphthalen-1-ol?
The canonical SMILES for (1R,2R)-1-phenyl-2-piperazin-1-yl-3,4-dihydro-2H-naphthalen-1-ol is O[C@]1(c2ccccc2)c2ccccc2CC[C@H]1N1CCNCC1.
What is the InChIKey of (1R,2R)-1-phenyl-2-piperazin-1-yl-3,4-dihydro-2H-naphthalen-1-ol?
The InChIKey is QWKXFGQWRMHOHU-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H24N2O/c23-20(17-7-2-1-3-8-17)18-9-5-4-6-16(18)10-11-19(20)22-14-12-21-13-15-22/h1-9,19,21,23H,10-15H2/t19-,20-/m1/s1.
What are the key properties of (1R,2R)-1-phenyl-2-piperazin-1-yl-3,4-dihydro-2H-naphthalen-1-ol?
(1R,2R)-1-phenyl-2-piperazin-1-yl-3,4-dihydro-2H-naphthalen-1-ol has a molecular weight of 308.43 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-phenyl-2-piperazin-1-yl-3,4-dihydro-2H-naphthalen-1-ol is sourced from PubChem (CID 54250565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).