2-[3-[(4-methylphenyl)methoxy]phenyl]-2-(2-methylpiperazin-1-yl)ethanol

C21H28N2O2 — CID 83979295

IUPAC2-[3-[(4-methylphenyl)methoxy]phenyl]-2-(2-methylpiperazin-1-yl)ethanol
SMILESCc1ccc(COc2cccc(C(CO)N3CCNCC3C)c2)cc1
InChIInChI=1S/C21H28N2O2/c1-16-6-8-18(9-7-16)15-25-20-5-3-4-19(12-20)21(14-24)23-11-10-22-13-17(23)2/h3-9,12,17,21-22,24H,10-11,13-15H2,1-2H3
InChIKeyXYWUGLFRQYZAHV-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.90
Rot. Bonds6

About 2-[3-[(4-methylphenyl)methoxy]phenyl]-2-(2-methylpiperazin-1-yl)ethanol

2-[3-[(4-methylphenyl)methoxy]phenyl]-2-(2-methylpiperazin-1-yl)ethanol (PubChem CID 83979295) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-[3-[(4-methylphenyl)methoxy]phenyl]-2-(2-methylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name2-[3-[(4-methylphenyl)methoxy]phenyl]-2-(2-methylpiperazin-1-yl)ethanol
PubChem CID83979295
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name2-[3-[(4-methylphenyl)methoxy]phenyl]-2-(2-methylpiperazin-1-yl)ethanol
SMILESCc1ccc(COc2cccc(C(CO)N3CCNCC3C)c2)cc1
InChIInChI=1S/C21H28N2O2/c1-16-6-8-18(9-7-16)15-25-20-5-3-4-19(12-20)21(14-24)23-11-10-22-13-17(23)2/h3-9,12,17,21-22,24H,10-11,13-15H2,1-2H3
InChIKeyXYWUGLFRQYZAHV-UHFFFAOYSA-N
XLogP2.90
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylpiperazin-1-yl)-2-(3-phenoxyphenyl)ethanol
CID 83978303
2-(3,4-dimethoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanol
CID 83978276
(1R)-1-[3-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 63366566
2-(2-methylpiperazin-1-yl)-2-(4-pentoxyphenyl)ethanol
CID 83978662
(2R)-2-(3-ethoxyphenyl)-2-piperazin-1-ylethanol
CID 93471023
3-[2-(dimethylamino)-1-(2-methylpiperazin-1-yl)ethyl]phenol
CID 83977987
2-(4-methoxy-3-propan-2-yloxyphenyl)-2-(2-methylpiperazin-1-yl)ethanol
CID 83979558
2-(3-butoxy-4-methoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanol
CID 83979306
1-[1-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethyl]-2-methylpiperazine
CID 83978094
2-[4-(diethylamino)phenyl]-2-(2-methylpiperazin-1-yl)ethanol
CID 83978231
2-(1,4-diazepan-1-yl)-2-(3-ethoxyphenyl)ethanol
CID 61048843
2-piperazin-1-yl-2-(3-propan-2-yloxyphenyl)ethanol
CID 61210767

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-methylphenyl)methoxy]phenyl]-2-(2-methylpiperazin-1-yl)ethanol?
The IUPAC name of 2-[3-[(4-methylphenyl)methoxy]phenyl]-2-(2-methylpiperazin-1-yl)ethanol (CID 83979295) is 2-[3-[(4-methylphenyl)methoxy]phenyl]-2-(2-methylpiperazin-1-yl)ethanol.
What is the SMILES notation for 2-[3-[(4-methylphenyl)methoxy]phenyl]-2-(2-methylpiperazin-1-yl)ethanol?
The canonical SMILES for 2-[3-[(4-methylphenyl)methoxy]phenyl]-2-(2-methylpiperazin-1-yl)ethanol is Cc1ccc(COc2cccc(C(CO)N3CCNCC3C)c2)cc1.
What is the InChIKey of 2-[3-[(4-methylphenyl)methoxy]phenyl]-2-(2-methylpiperazin-1-yl)ethanol?
The InChIKey is XYWUGLFRQYZAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-16-6-8-18(9-7-16)15-25-20-5-3-4-19(12-20)21(14-24)23-11-10-22-13-17(23)2/h3-9,12,17,21-22,24H,10-11,13-15H2,1-2H3.
What are the key properties of 2-[3-[(4-methylphenyl)methoxy]phenyl]-2-(2-methylpiperazin-1-yl)ethanol?
2-[3-[(4-methylphenyl)methoxy]phenyl]-2-(2-methylpiperazin-1-yl)ethanol has a molecular weight of 340.47 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-methylphenyl)methoxy]phenyl]-2-(2-methylpiperazin-1-yl)ethanol is sourced from PubChem (CID 83979295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).