2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethoxy]ethanol

C16H26N2O2 — CID 61071831

IUPAC2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethoxy]ethanol
SMILESCc1cccc(N2CCN(CCOCCO)CC2)c1C
InChIInChI=1S/C16H26N2O2/c1-14-4-3-5-16(15(14)2)18-8-6-17(7-9-18)10-12-20-13-11-19/h3-5,19H,6-13H2,1-2H3
InChIKeyYFHDLBLZCWZHNT-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.43
Rot. Bonds6

About 2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethoxy]ethanol

2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethoxy]ethanol (PubChem CID 61071831) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethoxy]ethanol
PubChem CID61071831
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethoxy]ethanol
SMILESCc1cccc(N2CCN(CCOCCO)CC2)c1C
InChIInChI=1S/C16H26N2O2/c1-14-4-3-5-16(15(14)2)18-8-6-17(7-9-18)10-12-20-13-11-19/h3-5,19H,6-13H2,1-2H3
InChIKeyYFHDLBLZCWZHNT-UHFFFAOYSA-N
XLogP1.43
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloroethyl)-4-(2,3-dimethylphenyl)piperazine
CID 61286908
1-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]-4-(2-methoxyphenyl)piperazine
CID 134154491
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butanenitrile
CID 11107993
1-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]-4-(2-methoxyphenyl)piperazine;dihydrochloride
CID 134154490
1-(2,3-dimethylphenyl)-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine
CID 163344961
2-amino-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butanoic acid
CID 63028507
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanehydrazide
CID 63570945
2-amino-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butanenitrile
CID 63028279
2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethoxy]quinoxaline
CID 67885692
4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propylsulfanyl]aniline;dihydrochloride
CID 10224460
2-(2-aminoethoxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 79463430
(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-amine
CID 22689441

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethoxy]ethanol?
The IUPAC name of 2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethoxy]ethanol (CID 61071831) is 2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethoxy]ethanol is Cc1cccc(N2CCN(CCOCCO)CC2)c1C.
What is the InChIKey of 2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethoxy]ethanol?
The InChIKey is YFHDLBLZCWZHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-14-4-3-5-16(15(14)2)18-8-6-17(7-9-18)10-12-20-13-11-19/h3-5,19H,6-13H2,1-2H3.
What are the key properties of 2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethoxy]ethanol?
2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethoxy]ethanol has a molecular weight of 278.40 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethoxy]ethanol is sourced from PubChem (CID 61071831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).