2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]ethanol

C10H22N2O3 — CID 66222329

IUPAC2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]ethanol
SMILESCOC(CN1CCN(CCO)CC1)OC
InChIInChI=1S/C10H22N2O3/c1-14-10(15-2)9-12-5-3-11(4-6-12)7-8-13/h10,13H,3-9H2,1-2H3
InChIKeyPHOHVYXNDVZACA-UHFFFAOYSA-N
MW218.30 g/mol
LogP-0.78
Rot. Bonds6

About 2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]ethanol

2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]ethanol (PubChem CID 66222329) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]ethanol
PubChem CID66222329
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Name2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]ethanol
SMILESCOC(CN1CCN(CCO)CC1)OC
InChIInChI=1S/C10H22N2O3/c1-14-10(15-2)9-12-5-3-11(4-6-12)7-8-13/h10,13H,3-9H2,1-2H3
InChIKeyPHOHVYXNDVZACA-UHFFFAOYSA-N
XLogP-0.78
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]-N,N-dimethylethanamine
CID 66222136
2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]acetic acid
CID 56716645
2-[4-[2-[4,7-bis(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethyl]-7-(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethanol
CID 18512424
methyl 2-bromo-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanoate
CID 81100700
methoxymethane;2-pyrrolidin-1-ylethanol
CID 142059876
2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol;methyl hydrogen carbonate
CID 67621651
1-(2,2-dimethoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 66223203
fluoro hypofluorite;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol
CID 70545422
1-[4-(2,2-dimethoxyethyl)-1,4-diazepan-1-yl]ethanone
CID 66221900
ethane;2-(4-methylpiperazin-1-yl)ethanol;vanadium
CID 176984837
2-(4-propan-2-ylpiperazin-1-yl)ethanol
CID 4739630
1-(2,2-dimethoxyethyl)piperidin-4-amine
CID 66221486

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]ethanol (CID 66222329) is 2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]ethanol is COC(CN1CCN(CCO)CC1)OC.
What is the InChIKey of 2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]ethanol?
The InChIKey is PHOHVYXNDVZACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-14-10(15-2)9-12-5-3-11(4-6-12)7-8-13/h10,13H,3-9H2,1-2H3.
What are the key properties of 2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]ethanol?
2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]ethanol has a molecular weight of 218.30 g/mol, XLogP of -0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 66222329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).