1-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]-2-(methylamino)ethanol

C19H24ClN3O — CID 83971882

IUPAC1-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]-2-(methylamino)ethanol
SMILESCNCC(O)c1ccc(N2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C19H24ClN3O/c1-21-14-19(24)15-5-7-17(8-6-15)22-9-11-23(12-10-22)18-4-2-3-16(20)13-18/h2-8,13,19,21,24H,9-12,14H2,1H3
InChIKeyVTIXRBMPFMIRDV-UHFFFAOYSA-N
MW345.87 g/mol
LogP2.92
Rot. Bonds5

About 1-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]-2-(methylamino)ethanol

1-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]-2-(methylamino)ethanol (PubChem CID 83971882) has the molecular formula C19H24ClN3O and a molecular weight of 345.87 g/mol. Its IUPAC name is 1-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]-2-(methylamino)ethanol
PubChem CID83971882
Molecular FormulaC19H24ClN3O
Molecular Weight345.87 g/mol
Exact Mass345.16
IUPAC Name1-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]-2-(methylamino)ethanol
SMILESCNCC(O)c1ccc(N2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C19H24ClN3O/c1-21-14-19(24)15-5-7-17(8-6-15)22-9-11-23(12-10-22)18-4-2-3-16(20)13-18/h2-8,13,19,21,24H,9-12,14H2,1H3
InChIKeyVTIXRBMPFMIRDV-UHFFFAOYSA-N
XLogP2.92
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(methylamino)-1-(4-pyrrolidin-1-ylphenyl)ethanol
CID 21098586
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpropan-1-amine
CID 55069987
2-(methylamino)-1-(4-piperazin-1-ylphenyl)ethanol
CID 83971909
1-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanol
CID 2767002
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-3-(methylamino)propanamide
CID 119874775
(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 39357220
3-[4-(3-chlorophenyl)piperazin-1-yl]-4-[[(2R)-2-hydroxypropyl]amino]cyclobut-3-ene-1,2-dione
CID 71964870
[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanamine
CID 28801360
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propanamide
CID 112984512
(1S)-1-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanol
CID 7036655
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(3,4-dimethoxyphenyl)ethanol
CID 53180160
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine
CID 62424615

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]-2-(methylamino)ethanol?
The IUPAC name of 1-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]-2-(methylamino)ethanol (CID 83971882) is 1-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]-2-(methylamino)ethanol.
What is the SMILES notation for 1-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]-2-(methylamino)ethanol?
The canonical SMILES for 1-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]-2-(methylamino)ethanol is CNCC(O)c1ccc(N2CCN(c3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of 1-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]-2-(methylamino)ethanol?
The InChIKey is VTIXRBMPFMIRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O/c1-21-14-19(24)15-5-7-17(8-6-15)22-9-11-23(12-10-22)18-4-2-3-16(20)13-18/h2-8,13,19,21,24H,9-12,14H2,1H3.
What are the key properties of 1-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]-2-(methylamino)ethanol?
1-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]-2-(methylamino)ethanol has a molecular weight of 345.87 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]-2-(methylamino)ethanol is sourced from PubChem (CID 83971882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).