4-[4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]phenol

C18H21ClN2O2 — CID 110884687

IUPAC4-[4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(CC(O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C18H21ClN2O2/c19-15-3-1-14(2-4-15)18(23)13-20-9-11-21(12-10-20)16-5-7-17(22)8-6-16/h1-8,18,22-23H,9-13H2
InChIKeyMLJGZHDLOQABDP-UHFFFAOYSA-N
MW332.83 g/mol
LogP2.90
Rot. Bonds4

About 4-[4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]phenol

4-[4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]phenol (PubChem CID 110884687) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 4-[4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]phenol
PubChem CID110884687
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name4-[4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(CC(O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C18H21ClN2O2/c19-15-3-1-14(2-4-15)18(23)13-20-9-11-21(12-10-20)16-5-7-17(22)8-6-16/h1-8,18,22-23H,9-13H2
InChIKeyMLJGZHDLOQABDP-UHFFFAOYSA-N
XLogP2.90
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-3-ylethanol
CID 3044996
1-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 21388286
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenol
CID 36839442
4-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]piperazin-1-yl]phenol
CID 47069555
4-(1-hydroxy-2-pyrrolidin-1-ylethyl)phenol
CID 11492169
(1S)-1-(4-chlorophenyl)-2-(4-propylpiperazin-1-yl)ethanol
CID 95299218
1-[4-(4-chlorophenyl)piperazin-1-yl]but-3-en-2-ol
CID 90407356
3-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]phenol
CID 110880205
3-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]phenol
CID 110883491
1-(3-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol
CID 3668416
1-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanol
CID 2767002
1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanol
CID 69054072

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]phenol?
The IUPAC name of 4-[4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]phenol (CID 110884687) is 4-[4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]phenol.
What is the SMILES notation for 4-[4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]phenol?
The canonical SMILES for 4-[4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]phenol is Oc1ccc(N2CCN(CC(O)c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 4-[4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]phenol?
The InChIKey is MLJGZHDLOQABDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c19-15-3-1-14(2-4-15)18(23)13-20-9-11-21(12-10-20)16-5-7-17(22)8-6-16/h1-8,18,22-23H,9-13H2.
What are the key properties of 4-[4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]phenol?
4-[4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]phenol has a molecular weight of 332.83 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]phenol is sourced from PubChem (CID 110884687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).