2-[2-[2-benzyl-4-(4-chlorophenyl)piperazin-1-yl]ethoxy]ethanol

C21H27ClN2O2 — CID 141127863

IUPAC2-[2-[2-benzyl-4-(4-chlorophenyl)piperazin-1-yl]ethoxy]ethanol
SMILESOCCOCCN1CCN(c2ccc(Cl)cc2)CC1Cc1ccccc1
InChIInChI=1S/C21H27ClN2O2/c22-19-6-8-20(9-7-19)24-11-10-23(12-14-26-15-13-25)21(17-24)16-18-4-2-1-3-5-18/h1-9,21,25H,10-17H2
InChIKeyPIUINAZMBUALGT-UHFFFAOYSA-N
MW374.91 g/mol
LogP3.08
Rot. Bonds8

About 2-[2-[2-benzyl-4-(4-chlorophenyl)piperazin-1-yl]ethoxy]ethanol

2-[2-[2-benzyl-4-(4-chlorophenyl)piperazin-1-yl]ethoxy]ethanol (PubChem CID 141127863) has the molecular formula C21H27ClN2O2 and a molecular weight of 374.91 g/mol. Its IUPAC name is 2-[2-[2-benzyl-4-(4-chlorophenyl)piperazin-1-yl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-benzyl-4-(4-chlorophenyl)piperazin-1-yl]ethoxy]ethanol
PubChem CID141127863
Molecular FormulaC21H27ClN2O2
Molecular Weight374.91 g/mol
Exact Mass374.18
IUPAC Name2-[2-[2-benzyl-4-(4-chlorophenyl)piperazin-1-yl]ethoxy]ethanol
SMILESOCCOCCN1CCN(c2ccc(Cl)cc2)CC1Cc1ccccc1
InChIInChI=1S/C21H27ClN2O2/c22-19-6-8-20(9-7-19)24-11-10-23(12-14-26-15-13-25)21(17-24)16-18-4-2-1-3-5-18/h1-9,21,25H,10-17H2
InChIKeyPIUINAZMBUALGT-UHFFFAOYSA-N
XLogP3.08
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethoxy]ethanol
CID 111439739
2-[4-[1-(4-chlorophenyl)piperidin-4-yl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 45249187
3-[2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]propan-1-ol
CID 66824816
4-[4-[2-benzyl-4-(4-chlorophenyl)piperazin-1-yl]butyl]-7-methyl-2,3-dihydrothieno[3,2-f][1,4]thiazepin-5-one
CID 67916245
2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethanol
CID 19933782
2-[(2R)-1-benzyl-4-phenylpiperazin-2-yl]acetic acid
CID 164560835
2-benzyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
CID 64846826
2-benzyl-1-(2-ethoxyethyl)piperazine
CID 64845833
2-[2-[(2S)-4-(2-methyl-10H-thieno[3,2-c][1]benzazepin-4-yl)-2-(2-phenylethyl)piperazin-1-yl]ethoxy]ethanol;hydrochloride
CID 11203283
2-[2-benzyl-4-[3,4-bis(difluoromethoxy)phenyl]piperazin-1-yl]acetamide
CID 67292661
2-[2-[2-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethanol
CID 18435678
4-[3-benzyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid
CID 75088558

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-benzyl-4-(4-chlorophenyl)piperazin-1-yl]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-benzyl-4-(4-chlorophenyl)piperazin-1-yl]ethoxy]ethanol (CID 141127863) is 2-[2-[2-benzyl-4-(4-chlorophenyl)piperazin-1-yl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-benzyl-4-(4-chlorophenyl)piperazin-1-yl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-benzyl-4-(4-chlorophenyl)piperazin-1-yl]ethoxy]ethanol is OCCOCCN1CCN(c2ccc(Cl)cc2)CC1Cc1ccccc1.
What is the InChIKey of 2-[2-[2-benzyl-4-(4-chlorophenyl)piperazin-1-yl]ethoxy]ethanol?
The InChIKey is PIUINAZMBUALGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O2/c22-19-6-8-20(9-7-19)24-11-10-23(12-14-26-15-13-25)21(17-24)16-18-4-2-1-3-5-18/h1-9,21,25H,10-17H2.
What are the key properties of 2-[2-[2-benzyl-4-(4-chlorophenyl)piperazin-1-yl]ethoxy]ethanol?
2-[2-[2-benzyl-4-(4-chlorophenyl)piperazin-1-yl]ethoxy]ethanol has a molecular weight of 374.91 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-benzyl-4-(4-chlorophenyl)piperazin-1-yl]ethoxy]ethanol is sourced from PubChem (CID 141127863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).