2-(3-chloro-4-ethoxyphenyl)-2-(2-methyl-4-propylpiperazin-1-yl)ethanol

C18H29ClN2O2 — CID 112540365

IUPAC2-(3-chloro-4-ethoxyphenyl)-2-(2-methyl-4-propylpiperazin-1-yl)ethanol
SMILESCCCN1CCN(C(CO)c2ccc(OCC)c(Cl)c2)C(C)C1
InChIInChI=1S/C18H29ClN2O2/c1-4-8-20-9-10-21(14(3)12-20)17(13-22)15-6-7-18(23-5-2)16(19)11-15/h6-7,11,14,17,22H,4-5,8-10,12-13H2,1-3H3
InChIKeyVNWXPDMUCYSCEY-UHFFFAOYSA-N
MW340.90 g/mol
LogP3.19
Rot. Bonds7

About 2-(3-chloro-4-ethoxyphenyl)-2-(2-methyl-4-propylpiperazin-1-yl)ethanol

2-(3-chloro-4-ethoxyphenyl)-2-(2-methyl-4-propylpiperazin-1-yl)ethanol (PubChem CID 112540365) has the molecular formula C18H29ClN2O2 and a molecular weight of 340.90 g/mol. Its IUPAC name is 2-(3-chloro-4-ethoxyphenyl)-2-(2-methyl-4-propylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name2-(3-chloro-4-ethoxyphenyl)-2-(2-methyl-4-propylpiperazin-1-yl)ethanol
PubChem CID112540365
Molecular FormulaC18H29ClN2O2
Molecular Weight340.90 g/mol
Exact Mass340.19
IUPAC Name2-(3-chloro-4-ethoxyphenyl)-2-(2-methyl-4-propylpiperazin-1-yl)ethanol
SMILESCCCN1CCN(C(CO)c2ccc(OCC)c(Cl)c2)C(C)C1
InChIInChI=1S/C18H29ClN2O2/c1-4-8-20-9-10-21(14(3)12-20)17(13-22)15-6-7-18(23-5-2)16(19)11-15/h6-7,11,14,17,22H,4-5,8-10,12-13H2,1-3H3
InChIKeyVNWXPDMUCYSCEY-UHFFFAOYSA-N
XLogP3.19
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.90
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-ethoxyphenyl)-2-(4-ethyl-2-methylpiperazin-1-yl)ethanamine
CID 83979851
2-chloro-4-[1-(2,4-dimethylpiperazin-1-yl)-2-hydroxyethyl]-6-ethoxyphenol
CID 112540464
2-[4-(dimethylamino)phenyl]-2-(2-methyl-4-propylpiperazin-1-yl)ethanol
CID 112539318
2-(3-chloro-4-propoxyphenyl)-2-(4-ethyl-2-methylpiperazin-1-yl)acetonitrile
CID 112540314
3-[(3-chloro-4-ethoxyphenyl)methyl]-1-propylpiperidin-4-ol
CID 110538030
2-(3-chloro-4-ethoxyphenyl)butan-1-ol
CID 116964115
2-(2,6-dichlorophenyl)-2-(4-ethyl-2-methylpiperazin-1-yl)ethanol
CID 112539285
2-(2,4-dimethylpiperazin-1-yl)-2-(3-ethoxy-4-propoxyphenyl)ethanamine
CID 83979135
2-(3-chloro-4-ethoxyphenyl)-2-(3-methylpiperazin-1-yl)acetic acid
CID 83979858
1-(3-chloro-4-ethoxyphenyl)ethanol
CID 82076442
2-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanamine
CID 83979744
2-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2-(2,4-dimethylpiperazin-1-yl)acetic acid
CID 83979954

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-ethoxyphenyl)-2-(2-methyl-4-propylpiperazin-1-yl)ethanol?
The IUPAC name of 2-(3-chloro-4-ethoxyphenyl)-2-(2-methyl-4-propylpiperazin-1-yl)ethanol (CID 112540365) is 2-(3-chloro-4-ethoxyphenyl)-2-(2-methyl-4-propylpiperazin-1-yl)ethanol.
What is the SMILES notation for 2-(3-chloro-4-ethoxyphenyl)-2-(2-methyl-4-propylpiperazin-1-yl)ethanol?
The canonical SMILES for 2-(3-chloro-4-ethoxyphenyl)-2-(2-methyl-4-propylpiperazin-1-yl)ethanol is CCCN1CCN(C(CO)c2ccc(OCC)c(Cl)c2)C(C)C1.
What is the InChIKey of 2-(3-chloro-4-ethoxyphenyl)-2-(2-methyl-4-propylpiperazin-1-yl)ethanol?
The InChIKey is VNWXPDMUCYSCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2O2/c1-4-8-20-9-10-21(14(3)12-20)17(13-22)15-6-7-18(23-5-2)16(19)11-15/h6-7,11,14,17,22H,4-5,8-10,12-13H2,1-3H3.
What are the key properties of 2-(3-chloro-4-ethoxyphenyl)-2-(2-methyl-4-propylpiperazin-1-yl)ethanol?
2-(3-chloro-4-ethoxyphenyl)-2-(2-methyl-4-propylpiperazin-1-yl)ethanol has a molecular weight of 340.90 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-ethoxyphenyl)-2-(2-methyl-4-propylpiperazin-1-yl)ethanol is sourced from PubChem (CID 112540365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).