2-{2-[4-(4-Ethylcyclohexyl)-1-piperazinyl]ethoxy}ethanol

C16H32N2O2 — CID 29957822

IUPAC2-[2-[4-(4-ethylcyclohexyl)piperazin-1-yl]ethoxy]ethanol
SMILESCCC1CCC(CC1)N2CCN(CC2)CCOCCO
InChIInChI=1S/C16H32N2O2/c1-2-15-3-5-16(6-4-15)18-9-7-17(8-10-18)11-13-20-14-12-19/h15-16,19H,2-14H2,1H3
InChIKeyXJWBIELNKCIEMP-UHFFFAOYSA-N
MW284.44 g/mol
LogP1.80
Rot. Bonds7

About 2-{2-[4-(4-Ethylcyclohexyl)-1-piperazinyl]ethoxy}ethanol

2-{2-[4-(4-Ethylcyclohexyl)-1-piperazinyl]ethoxy}ethanol (PubChem CID 29957822) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 2-[2-[4-(4-ethylcyclohexyl)piperazin-1-yl]ethoxy]ethanol.

Molecular Properties

Compound Name2-{2-[4-(4-Ethylcyclohexyl)-1-piperazinyl]ethoxy}ethanol
PubChem CID29957822
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name2-[2-[4-(4-ethylcyclohexyl)piperazin-1-yl]ethoxy]ethanol
SMILESCCC1CCC(CC1)N2CCN(CC2)CCOCCO
InChIInChI=1S/C16H32N2O2/c1-2-15-3-5-16(6-4-15)18-9-7-17(8-10-18)11-13-20-14-12-19/h15-16,19H,2-14H2,1H3
InChIKeyXJWBIELNKCIEMP-UHFFFAOYSA-N
XLogP1.80
TPSA35.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity247

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 51.80
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-(Cyclohexylmethyl)-1-piperazinyl]ethoxy}ethanol
CID 2059252
2-[2-[2-[2-[2-[2-(3-Butylpiperidin-1-yl)-2-methoxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 66832250
1-(4-Methylpiperidin-1-yl)-2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethanol
CID 176984532
2-[2-[4-(4-Methylcyclohexyl)piperazine-1,4-diium-1-yl]ethoxy]ethanol
CID 2059186
2-{2-[4-(4-Methylcyclohexyl)-1-piperazinyl]ethoxy}ethanol
CID 2059187
2-[2-[4-[(1R,3S)-3-methylcyclohexyl]piperazine-1,4-diium-1-yl]ethoxy]ethanol
CID 2059343
2-[2-[4-[(1R,3S)-3-methylcyclohexyl]piperazin-1-yl]ethoxy]ethanol
CID 2059344
2-[2-[4-[(1R,3R)-3-methylcyclohexyl]piperazine-1,4-diium-1-yl]ethoxy]ethanol
CID 2059345
2-[2-[4-[(1R,3R)-3-methylcyclohexyl]piperazin-1-yl]ethoxy]ethanol
CID 2059346
2-[2-[4-[(1S,3S)-3-methylcyclohexyl]piperazine-1,4-diium-1-yl]ethoxy]ethanol
CID 2059347
2-[2-[4-[(1S,3S)-3-methylcyclohexyl]piperazin-1-yl]ethoxy]ethanol
CID 2059348
2-[2-[4-[(1S,3R)-3-methylcyclohexyl]piperazine-1,4-diium-1-yl]ethoxy]ethanol
CID 2059349

Frequently Asked Questions

What is the IUPAC name of 2-{2-[4-(4-Ethylcyclohexyl)-1-piperazinyl]ethoxy}ethanol?
The IUPAC name of 2-{2-[4-(4-Ethylcyclohexyl)-1-piperazinyl]ethoxy}ethanol (CID 29957822) is 2-[2-[4-(4-ethylcyclohexyl)piperazin-1-yl]ethoxy]ethanol.
What is the SMILES notation for 2-{2-[4-(4-Ethylcyclohexyl)-1-piperazinyl]ethoxy}ethanol?
The canonical SMILES for 2-{2-[4-(4-Ethylcyclohexyl)-1-piperazinyl]ethoxy}ethanol is CCC1CCC(CC1)N2CCN(CC2)CCOCCO.
What is the InChIKey of 2-{2-[4-(4-Ethylcyclohexyl)-1-piperazinyl]ethoxy}ethanol?
The InChIKey is XJWBIELNKCIEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-2-15-3-5-16(6-4-15)18-9-7-17(8-10-18)11-13-20-14-12-19/h15-16,19H,2-14H2,1H3.
What are the key properties of 2-{2-[4-(4-Ethylcyclohexyl)-1-piperazinyl]ethoxy}ethanol?
2-{2-[4-(4-Ethylcyclohexyl)-1-piperazinyl]ethoxy}ethanol has a molecular weight of 284.44 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-{2-[4-(4-Ethylcyclohexyl)-1-piperazinyl]ethoxy}ethanol is sourced from PubChem (CID 29957822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).