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

C23H31ClN2O3 — CID 18435678

IUPAC2-[2-[2-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethanol
SMILESOCCOCCOCCN1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H31ClN2O3/c24-22-7-5-20(6-8-22)23-4-2-1-3-21(23)19-26-11-9-25(10-12-26)13-15-28-17-18-29-16-14-27/h1-8,27H,9-19H2
InChIKeyYPZISWVQQUYSOW-UHFFFAOYSA-N
MW418.97 g/mol
LogP3.15
Rot. Bonds11

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

2-[2-[2-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethanol (PubChem CID 18435678) has the molecular formula C23H31ClN2O3 and a molecular weight of 418.97 g/mol. Its IUPAC name is 2-[2-[2-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethanol
PubChem CID18435678
Molecular FormulaC23H31ClN2O3
Molecular Weight418.97 g/mol
Exact Mass418.20
IUPAC Name2-[2-[2-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethanol
SMILESOCCOCCOCCN1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H31ClN2O3/c24-22-7-5-20(6-8-22)23-4-2-1-3-21(23)19-26-11-9-25(10-12-26)13-15-28-17-18-29-16-14-27/h1-8,27H,9-19H2
InChIKeyYPZISWVQQUYSOW-UHFFFAOYSA-N
XLogP3.15
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.97
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[[2-(4-chlorophenyl)phenyl]methoxy]ethyl]piperidine;hydrochloride
CID 90150517
2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethanol
CID 19933782
1-(4-chlorophenyl)-4-[(2-phenylphenyl)methyl]piperazine
CID 71602582
1-[[2-(4-chlorophenyl)phenyl]methyl]-4-(4-methylphenyl)piperazine
CID 130244404
2-(4-chlorophenyl)-1-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethanone
CID 111439548
2-[2-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]ethoxy]-N-(2H-tetrazol-5-yl)benzamide
CID 19922879
(Z)-but-2-enedioic acid;2-[2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethoxy]ethanol
CID 21140422
1-benzyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperazine
CID 2977898
1-[2-(4-chlorophenoxy)ethyl]-4-[(2-phenylphenyl)methyl]-1,4-diazepan-5-one
CID 24733013
2-[2-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)piperidin-1-yl]ethoxy]ethanol
CID 70481452
4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]benzenecarboximidamide
CID 59186614
2-[1-[2-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]ethyl]-5-methoxy-2-methylindol-3-yl]acetic acid
CID 19922895

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethanol (CID 18435678) is 2-[2-[2-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethanol is OCCOCCOCCN1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[2-[2-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethanol?
The InChIKey is YPZISWVQQUYSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31ClN2O3/c24-22-7-5-20(6-8-22)23-4-2-1-3-21(23)19-26-11-9-25(10-12-26)13-15-28-17-18-29-16-14-27/h1-8,27H,9-19H2.
What are the key properties of 2-[2-[2-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethanol?
2-[2-[2-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethanol has a molecular weight of 418.97 g/mol, XLogP of 3.15, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 18435678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).