(1R,2R)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-ol;dihydrochloride

C16H26Cl2N2O2 — CID 90664661

IUPAC(1R,2R)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-ol;dihydrochloride
SMILESCl.Cl.OCCN1CCN([C@@H]2CCc3ccccc3[C@H]2O)CC1
InChIInChI=1S/C16H24N2O2.2ClH/c19-12-11-17-7-9-18(10-8-17)15-6-5-13-3-1-2-4-14(13)16(15)20;;/h1-4,15-16,19-20H,5-12H2;2*1H/t15-,16-;;/m1../s1
InChIKeyRIBLNCZEGGEJDT-UWGSCQAASA-N
MW349.30 g/mol
LogP1.49
Rot. Bonds3

About (1R,2R)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-ol;dihydrochloride

(1R,2R)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-ol;dihydrochloride (PubChem CID 90664661) has the molecular formula C16H26Cl2N2O2 and a molecular weight of 349.30 g/mol. Its IUPAC name is (1R,2R)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-ol;dihydrochloride.

Molecular Properties

Compound Name(1R,2R)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-ol;dihydrochloride
PubChem CID90664661
Molecular FormulaC16H26Cl2N2O2
Molecular Weight349.30 g/mol
Exact Mass348.14
IUPAC Name(1R,2R)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-ol;dihydrochloride
SMILESCl.Cl.OCCN1CCN([C@@H]2CCc3ccccc3[C@H]2O)CC1
InChIInChI=1S/C16H24N2O2.2ClH/c19-12-11-17-7-9-18(10-8-17)15-6-5-13-3-1-2-4-14(13)16(15)20;;/h1-4,15-16,19-20H,5-12H2;2*1H/t15-,16-;;/m1../s1
InChIKeyRIBLNCZEGGEJDT-UWGSCQAASA-N
XLogP1.49
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.30
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R,2R)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-ol;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-ol;dihydrochloride?
The IUPAC name of (1R,2R)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-ol;dihydrochloride (CID 90664661) is (1R,2R)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-ol;dihydrochloride.
What is the SMILES notation for (1R,2R)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-ol;dihydrochloride?
The canonical SMILES for (1R,2R)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-ol;dihydrochloride is Cl.Cl.OCCN1CCN([C@@H]2CCc3ccccc3[C@H]2O)CC1.
What is the InChIKey of (1R,2R)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-ol;dihydrochloride?
The InChIKey is RIBLNCZEGGEJDT-UWGSCQAASA-N. The full InChI is InChI=1S/C16H24N2O2.2ClH/c19-12-11-17-7-9-18(10-8-17)15-6-5-13-3-1-2-4-14(13)16(15)20;;/h1-4,15-16,19-20H,5-12H2;2*1H/t15-,16-;;/m1../s1.
What are the key properties of (1R,2R)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-ol;dihydrochloride?
(1R,2R)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-ol;dihydrochloride has a molecular weight of 349.30 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-ol;dihydrochloride is sourced from PubChem (CID 90664661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).