2-[4-[2-(3-chlorophenoxy)ethyl]piperazin-1-yl]ethanol;hydrochloride

C14H22Cl2N2O2 — CID 11957308

IUPAC2-[4-[2-(3-chlorophenoxy)ethyl]piperazin-1-yl]ethanol;hydrochloride
SMILESCl.OCCN1CCN(CCOc2cccc(Cl)c2)CC1
InChIInChI=1S/C14H21ClN2O2.ClH/c15-13-2-1-3-14(12-13)19-11-9-17-6-4-16(5-7-17)8-10-18;/h1-3,12,18H,4-11H2;1H
InChIKeyPZRWEPHQUYMISM-UHFFFAOYSA-N
MW321.25 g/mol
LogP1.75
Rot. Bonds6

About 2-[4-[2-(3-chlorophenoxy)ethyl]piperazin-1-yl]ethanol;hydrochloride

2-[4-[2-(3-chlorophenoxy)ethyl]piperazin-1-yl]ethanol;hydrochloride (PubChem CID 11957308) has the molecular formula C14H22Cl2N2O2 and a molecular weight of 321.25 g/mol. Its IUPAC name is 2-[4-[2-(3-chlorophenoxy)ethyl]piperazin-1-yl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[4-[2-(3-chlorophenoxy)ethyl]piperazin-1-yl]ethanol;hydrochloride
PubChem CID11957308
Molecular FormulaC14H22Cl2N2O2
Molecular Weight321.25 g/mol
Exact Mass320.11
IUPAC Name2-[4-[2-(3-chlorophenoxy)ethyl]piperazin-1-yl]ethanol;hydrochloride
SMILESCl.OCCN1CCN(CCOc2cccc(Cl)c2)CC1
InChIInChI=1S/C14H21ClN2O2.ClH/c15-13-2-1-3-14(12-13)19-11-9-17-6-4-16(5-7-17)8-10-18;/h1-3,12,18H,4-11H2;1H
InChIKeyPZRWEPHQUYMISM-UHFFFAOYSA-N
XLogP1.75
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3-chlorophenoxy)ethyl]piperazin-1-yl]ethanol;hydrochloride?
The IUPAC name of 2-[4-[2-(3-chlorophenoxy)ethyl]piperazin-1-yl]ethanol;hydrochloride (CID 11957308) is 2-[4-[2-(3-chlorophenoxy)ethyl]piperazin-1-yl]ethanol;hydrochloride.
What is the SMILES notation for 2-[4-[2-(3-chlorophenoxy)ethyl]piperazin-1-yl]ethanol;hydrochloride?
The canonical SMILES for 2-[4-[2-(3-chlorophenoxy)ethyl]piperazin-1-yl]ethanol;hydrochloride is Cl.OCCN1CCN(CCOc2cccc(Cl)c2)CC1.
What is the InChIKey of 2-[4-[2-(3-chlorophenoxy)ethyl]piperazin-1-yl]ethanol;hydrochloride?
The InChIKey is PZRWEPHQUYMISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2.ClH/c15-13-2-1-3-14(12-13)19-11-9-17-6-4-16(5-7-17)8-10-18;/h1-3,12,18H,4-11H2;1H.
What are the key properties of 2-[4-[2-(3-chlorophenoxy)ethyl]piperazin-1-yl]ethanol;hydrochloride?
2-[4-[2-(3-chlorophenoxy)ethyl]piperazin-1-yl]ethanol;hydrochloride has a molecular weight of 321.25 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3-chlorophenoxy)ethyl]piperazin-1-yl]ethanol;hydrochloride is sourced from PubChem (CID 11957308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).