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

C19H23ClN2O — CID 18798287

IUPAC2-[4-[[4-(2-chlorophenyl)phenyl]methyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(Cc2ccc(-c3ccccc3Cl)cc2)CC1
InChIInChI=1S/C19H23ClN2O/c20-19-4-2-1-3-18(19)17-7-5-16(6-8-17)15-22-11-9-21(10-12-22)13-14-23/h1-8,23H,9-15H2
InChIKeyGZNKBTAPENDAHM-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.12
Rot. Bonds5

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

2-[4-[[4-(2-chlorophenyl)phenyl]methyl]piperazin-1-yl]ethanol (PubChem CID 18798287) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is 2-[4-[[4-(2-chlorophenyl)phenyl]methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[4-(2-chlorophenyl)phenyl]methyl]piperazin-1-yl]ethanol
PubChem CID18798287
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC Name2-[4-[[4-(2-chlorophenyl)phenyl]methyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(Cc2ccc(-c3ccccc3Cl)cc2)CC1
InChIInChI=1S/C19H23ClN2O/c20-19-4-2-1-3-18(19)17-7-5-16(6-8-17)15-22-11-9-21(10-12-22)13-14-23/h1-8,23H,9-15H2
InChIKeyGZNKBTAPENDAHM-UHFFFAOYSA-N
XLogP3.12
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanol
CID 780027
2-[4-[[4-(aminooxymethyl)phenyl]methyl]piperazin-1-yl]ethanol
CID 67132134
2-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetonitrile
CID 82135676
2-[4-[[3-chloro-4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]piperazin-1-yl]ethanol
CID 126675607
4-[3-[4-(2-chlorophenyl)phenyl]propyl]morpholine
CID 170869885
[2-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methanamine
CID 16793650
4-(2-chlorophenyl)-N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]benzamide
CID 141171867
2-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 9390005
2-[4-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanol
CID 171701163
2-[4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]piperazin-1-yl]ethanol
CID 110888313
2-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]ethanol
CID 754265
3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 82187897

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(2-chlorophenyl)phenyl]methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[[4-(2-chlorophenyl)phenyl]methyl]piperazin-1-yl]ethanol (CID 18798287) is 2-[4-[[4-(2-chlorophenyl)phenyl]methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[4-(2-chlorophenyl)phenyl]methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[[4-(2-chlorophenyl)phenyl]methyl]piperazin-1-yl]ethanol is OCCN1CCN(Cc2ccc(-c3ccccc3Cl)cc2)CC1.
What is the InChIKey of 2-[4-[[4-(2-chlorophenyl)phenyl]methyl]piperazin-1-yl]ethanol?
The InChIKey is GZNKBTAPENDAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O/c20-19-4-2-1-3-18(19)17-7-5-16(6-8-17)15-22-11-9-21(10-12-22)13-14-23/h1-8,23H,9-15H2.
What are the key properties of 2-[4-[[4-(2-chlorophenyl)phenyl]methyl]piperazin-1-yl]ethanol?
2-[4-[[4-(2-chlorophenyl)phenyl]methyl]piperazin-1-yl]ethanol has a molecular weight of 330.86 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(2-chlorophenyl)phenyl]methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 18798287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).