(1S)-2-(4-benzylpiperazin-1-yl)-1-phenylethanol;dihydrochloride

C19H26Cl2N2O — CID 69054522

IUPAC(1S)-2-(4-benzylpiperazin-1-yl)-1-phenylethanol;dihydrochloride
SMILESCl.Cl.O[C@H](CN1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C19H24N2O.2ClH/c22-19(18-9-5-2-6-10-18)16-21-13-11-20(12-14-21)15-17-7-3-1-4-8-17;;/h1-10,19,22H,11-16H2;2*1H/t19-;;/m1../s1
InChIKeyQEABVUQGADYXOL-JQDLGSOUSA-N
MW369.34 g/mol
LogP3.38
Rot. Bonds5

About (1S)-2-(4-benzylpiperazin-1-yl)-1-phenylethanol;dihydrochloride

(1S)-2-(4-benzylpiperazin-1-yl)-1-phenylethanol;dihydrochloride (PubChem CID 69054522) has the molecular formula C19H26Cl2N2O and a molecular weight of 369.34 g/mol. Its IUPAC name is (1S)-2-(4-benzylpiperazin-1-yl)-1-phenylethanol;dihydrochloride.

Molecular Properties

Compound Name(1S)-2-(4-benzylpiperazin-1-yl)-1-phenylethanol;dihydrochloride
PubChem CID69054522
Molecular FormulaC19H26Cl2N2O
Molecular Weight369.34 g/mol
Exact Mass368.14
IUPAC Name(1S)-2-(4-benzylpiperazin-1-yl)-1-phenylethanol;dihydrochloride
SMILESCl.Cl.O[C@H](CN1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C19H24N2O.2ClH/c22-19(18-9-5-2-6-10-18)16-21-13-11-20(12-14-21)15-17-7-3-1-4-8-17;;/h1-10,19,22H,11-16H2;2*1H/t19-;;/m1../s1
InChIKeyQEABVUQGADYXOL-JQDLGSOUSA-N
XLogP3.38
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-2-(4-benzylpiperazin-1-yl)-1-phenylethanol;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 (1S)-2-(4-benzylpiperazin-1-yl)-1-phenylethanol;dihydrochloride?
The IUPAC name of (1S)-2-(4-benzylpiperazin-1-yl)-1-phenylethanol;dihydrochloride (CID 69054522) is (1S)-2-(4-benzylpiperazin-1-yl)-1-phenylethanol;dihydrochloride.
What is the SMILES notation for (1S)-2-(4-benzylpiperazin-1-yl)-1-phenylethanol;dihydrochloride?
The canonical SMILES for (1S)-2-(4-benzylpiperazin-1-yl)-1-phenylethanol;dihydrochloride is Cl.Cl.O[C@H](CN1CCN(Cc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of (1S)-2-(4-benzylpiperazin-1-yl)-1-phenylethanol;dihydrochloride?
The InChIKey is QEABVUQGADYXOL-JQDLGSOUSA-N. The full InChI is InChI=1S/C19H24N2O.2ClH/c22-19(18-9-5-2-6-10-18)16-21-13-11-20(12-14-21)15-17-7-3-1-4-8-17;;/h1-10,19,22H,11-16H2;2*1H/t19-;;/m1../s1.
What are the key properties of (1S)-2-(4-benzylpiperazin-1-yl)-1-phenylethanol;dihydrochloride?
(1S)-2-(4-benzylpiperazin-1-yl)-1-phenylethanol;dihydrochloride has a molecular weight of 369.34 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(4-benzylpiperazin-1-yl)-1-phenylethanol;dihydrochloride is sourced from PubChem (CID 69054522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).