1-(4-chlorophenyl)-2-(2-phenylpiperazin-1-yl)ethanol;dihydrochloride

C18H23Cl3N2O — CID 21292088

IUPAC1-(4-chlorophenyl)-2-(2-phenylpiperazin-1-yl)ethanol;dihydrochloride
SMILESCl.Cl.OC(CN1CCNCC1c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O.2ClH/c19-16-8-6-15(7-9-16)18(22)13-21-11-10-20-12-17(21)14-4-2-1-3-5-14;;/h1-9,17-18,20,22H,10-13H2;2*1H
InChIKeyRGWRPJJMQBTWSV-UHFFFAOYSA-N
MW389.75 g/mol
LogP3.86
Rot. Bonds4

About 1-(4-chlorophenyl)-2-(2-phenylpiperazin-1-yl)ethanol;dihydrochloride

1-(4-chlorophenyl)-2-(2-phenylpiperazin-1-yl)ethanol;dihydrochloride (PubChem CID 21292088) has the molecular formula C18H23Cl3N2O and a molecular weight of 389.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(2-phenylpiperazin-1-yl)ethanol;dihydrochloride.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(2-phenylpiperazin-1-yl)ethanol;dihydrochloride
PubChem CID21292088
Molecular FormulaC18H23Cl3N2O
Molecular Weight389.75 g/mol
Exact Mass388.09
IUPAC Name1-(4-chlorophenyl)-2-(2-phenylpiperazin-1-yl)ethanol;dihydrochloride
SMILESCl.Cl.OC(CN1CCNCC1c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O.2ClH/c19-16-8-6-15(7-9-16)18(22)13-21-11-10-20-12-17(21)14-4-2-1-3-5-14;;/h1-9,17-18,20,22H,10-13H2;2*1H
InChIKeyRGWRPJJMQBTWSV-UHFFFAOYSA-N
XLogP3.86
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.75
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(2-phenylpiperazin-1-yl)ethanol;dihydrochloride?
The IUPAC name of 1-(4-chlorophenyl)-2-(2-phenylpiperazin-1-yl)ethanol;dihydrochloride (CID 21292088) is 1-(4-chlorophenyl)-2-(2-phenylpiperazin-1-yl)ethanol;dihydrochloride.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(2-phenylpiperazin-1-yl)ethanol;dihydrochloride?
The canonical SMILES for 1-(4-chlorophenyl)-2-(2-phenylpiperazin-1-yl)ethanol;dihydrochloride is Cl.Cl.OC(CN1CCNCC1c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(2-phenylpiperazin-1-yl)ethanol;dihydrochloride?
The InChIKey is RGWRPJJMQBTWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O.2ClH/c19-16-8-6-15(7-9-16)18(22)13-21-11-10-20-12-17(21)14-4-2-1-3-5-14;;/h1-9,17-18,20,22H,10-13H2;2*1H.
What are the key properties of 1-(4-chlorophenyl)-2-(2-phenylpiperazin-1-yl)ethanol;dihydrochloride?
1-(4-chlorophenyl)-2-(2-phenylpiperazin-1-yl)ethanol;dihydrochloride has a molecular weight of 389.75 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(2-phenylpiperazin-1-yl)ethanol;dihydrochloride is sourced from PubChem (CID 21292088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).