ethane;2-[2-(4-pentylpiperazin-1-yl)ethoxy]ethanol;tungsten

C17H40N2O2W — CID 156720121

IUPACethane;2-[2-(4-pentylpiperazin-1-yl)ethoxy]ethanol;tungsten
SMILESCC.CC.CCCCCN1CCN(CCOCCO)CC1.[W]
InChIInChI=1S/C13H28N2O2.2C2H6.W/c1-2-3-4-5-14-6-8-15(9-7-14)10-12-17-13-11-16;2*1-2;/h16H,2-13H2,1H3;2*1-2H3;
InChIKeyUSAPWZSAVFYEIS-UHFFFAOYSA-N
MW488.36 g/mol
LogP2.85
Rot. Bonds9

About ethane;2-[2-(4-pentylpiperazin-1-yl)ethoxy]ethanol;tungsten

ethane;2-[2-(4-pentylpiperazin-1-yl)ethoxy]ethanol;tungsten (PubChem CID 156720121) has the molecular formula C17H40N2O2W and a molecular weight of 488.36 g/mol. Its IUPAC name is ethane;2-[2-(4-pentylpiperazin-1-yl)ethoxy]ethanol;tungsten.

Molecular Properties

Compound Nameethane;2-[2-(4-pentylpiperazin-1-yl)ethoxy]ethanol;tungsten
PubChem CID156720121
Molecular FormulaC17H40N2O2W
Molecular Weight488.36 g/mol
Exact Mass488.26
IUPAC Nameethane;2-[2-(4-pentylpiperazin-1-yl)ethoxy]ethanol;tungsten
SMILESCC.CC.CCCCCN1CCN(CCOCCO)CC1.[W]
InChIInChI=1S/C13H28N2O2.2C2H6.W/c1-2-3-4-5-14-6-8-15(9-7-14)10-12-17-13-11-16;2*1-2;/h16H,2-13H2,1H3;2*1-2H3;
InChIKeyUSAPWZSAVFYEIS-UHFFFAOYSA-N
XLogP2.85
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.36
LogP ≤ 52.85
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

2-[2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethoxy]acetic acid
CID 176958923
2-[2-[4-(3-aminopropyl)piperazin-1-yl]ethoxy]ethanol
CID 61070861
2-(2-pyrrolidin-1-ylethoxy)ethanol
CID 10080651
ethane;1-(5-ethoxypentyl)-4-pentylpiperazine
CID 142365396
1-octylaziridine
CID 544653
hexadecane;2-(2-hydroxyethoxy)ethanol
CID 87490818
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
2-[4-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethyl]piperazin-1-yl]ethanol
CID 100986630
2-[4,7-bis(carboxymethyl)-10-[2-(2-hydroxyethoxy)ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 19438545
(4-nonylpiperazin-1-yl)methanol
CID 574800
ethane;1-methyl-4-pentylpiperazine
CID 145099418
2-(4-octyl-1,4-diazepan-1-yl)ethanol
CID 63309782

Frequently Asked Questions

What is the IUPAC name of ethane;2-[2-(4-pentylpiperazin-1-yl)ethoxy]ethanol;tungsten?
The IUPAC name of ethane;2-[2-(4-pentylpiperazin-1-yl)ethoxy]ethanol;tungsten (CID 156720121) is ethane;2-[2-(4-pentylpiperazin-1-yl)ethoxy]ethanol;tungsten.
What is the SMILES notation for ethane;2-[2-(4-pentylpiperazin-1-yl)ethoxy]ethanol;tungsten?
The canonical SMILES for ethane;2-[2-(4-pentylpiperazin-1-yl)ethoxy]ethanol;tungsten is CC.CC.CCCCCN1CCN(CCOCCO)CC1.[W].
What is the InChIKey of ethane;2-[2-(4-pentylpiperazin-1-yl)ethoxy]ethanol;tungsten?
The InChIKey is USAPWZSAVFYEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2.2C2H6.W/c1-2-3-4-5-14-6-8-15(9-7-14)10-12-17-13-11-16;2*1-2;/h16H,2-13H2,1H3;2*1-2H3;.
What are the key properties of ethane;2-[2-(4-pentylpiperazin-1-yl)ethoxy]ethanol;tungsten?
ethane;2-[2-(4-pentylpiperazin-1-yl)ethoxy]ethanol;tungsten has a molecular weight of 488.36 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[2-(4-pentylpiperazin-1-yl)ethoxy]ethanol;tungsten is sourced from PubChem (CID 156720121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).