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

C18H21ClN2O — CID 67827124

IUPAC2-[2-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanol
SMILESOCCc1ccccc1N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H21ClN2O/c19-16-5-3-6-17(14-16)20-9-11-21(12-10-20)18-7-2-1-4-15(18)8-13-22/h1-7,14,22H,8-13H2
InChIKeyZMSHXHFGAYUOJD-UHFFFAOYSA-N
MW316.83 g/mol
LogP3.20
Rot. Bonds4

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

2-[2-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanol (PubChem CID 67827124) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanol.

Molecular Properties

Compound Name2-[2-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanol
PubChem CID67827124
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name2-[2-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanol
SMILESOCCc1ccccc1N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H21ClN2O/c19-16-5-3-6-17(14-16)20-9-11-21(12-10-20)18-7-2-1-4-15(18)8-13-22/h1-7,14,22H,8-13H2
InChIKeyZMSHXHFGAYUOJD-UHFFFAOYSA-N
XLogP3.20
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]ethanol
CID 117374519
[2-(aminomethyl)phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 110452050
1-[4-(3-chlorophenyl)piperazin-1-yl]-5-hydroxypentan-1-one
CID 79016503
1-(3-chlorophenyl)azonane
CID 145391535
1-(4-acetylpiperazin-1-yl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propane-1,3-dione
CID 108944892
[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanamine
CID 28801360
4-(3-chlorophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 6467004
1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-one
CID 60649957
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylpropanamide
CID 51108233
3-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol
CID 62270193
2-[4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetic acid
CID 20991836
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941987

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanol?
The IUPAC name of 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanol (CID 67827124) is 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanol.
What is the SMILES notation for 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanol?
The canonical SMILES for 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanol is OCCc1ccccc1N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanol?
The InChIKey is ZMSHXHFGAYUOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c19-16-5-3-6-17(14-16)20-9-11-21(12-10-20)18-7-2-1-4-15(18)8-13-22/h1-7,14,22H,8-13H2.
What are the key properties of 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanol?
2-[2-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanol has a molecular weight of 316.83 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanol is sourced from PubChem (CID 67827124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).