2-(2,3,4-trimethylpiperazin-1-yl)ethanol

C9H20N2O — CID 127732557

IUPAC2-(2,3,4-trimethylpiperazin-1-yl)ethanol
SMILESCC1C(C)N(CCO)CCN1C
InChIInChI=1S/C9H20N2O/c1-8-9(2)11(6-7-12)5-4-10(8)3/h8-9,12H,4-7H2,1-3H3
InChIKeyCWXYDNBCKGOWRX-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.00
Rot. Bonds2

About 2-(2,3,4-trimethylpiperazin-1-yl)ethanol

2-(2,3,4-trimethylpiperazin-1-yl)ethanol (PubChem CID 127732557) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-(2,3,4-trimethylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name2-(2,3,4-trimethylpiperazin-1-yl)ethanol
PubChem CID127732557
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2-(2,3,4-trimethylpiperazin-1-yl)ethanol
SMILESCC1C(C)N(CCO)CCN1C
InChIInChI=1S/C9H20N2O/c1-8-9(2)11(6-7-12)5-4-10(8)3/h8-9,12H,4-7H2,1-3H3
InChIKeyCWXYDNBCKGOWRX-UHFFFAOYSA-N
XLogP0.00
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,3,4-trimethylpiperazin-1-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,3-dimethylimidazolidin-1-yl)ethanol
CID 67521197
1,2,3,4-tetramethylpiperazine
CID 66583347
1-[(E)-3-chloroprop-2-enyl]-2,3,4-trimethylpiperazine
CID 131232946
1,2,3-trimethyl-4-(piperidin-4-ylmethyl)piperazine
CID 120854846
2-[3-methyl-2-(2-methyloctan-2-yl)imidazolidin-1-yl]ethanol
CID 57356443
1-(2-hydroxyethyl)-2-methylpyrrolidine-3,4-diol
CID 130143959
(2S,3R)-1-tert-butyl-2,3,4-trimethylpiperazine
CID 168821031
1-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]ethanone
CID 66568110
2-[(3S)-3-methylmorpholin-4-yl]ethanol
CID 67078018
2-(3-methylmorpholin-4-yl)ethanol
CID 43542486
2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol
CID 115824235
(1,2-dimethylpyrrolidin-3-yl)methanol;dihydrochloride
CID 142403583

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4-trimethylpiperazin-1-yl)ethanol?
The IUPAC name of 2-(2,3,4-trimethylpiperazin-1-yl)ethanol (CID 127732557) is 2-(2,3,4-trimethylpiperazin-1-yl)ethanol.
What is the SMILES notation for 2-(2,3,4-trimethylpiperazin-1-yl)ethanol?
The canonical SMILES for 2-(2,3,4-trimethylpiperazin-1-yl)ethanol is CC1C(C)N(CCO)CCN1C.
What is the InChIKey of 2-(2,3,4-trimethylpiperazin-1-yl)ethanol?
The InChIKey is CWXYDNBCKGOWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-8-9(2)11(6-7-12)5-4-10(8)3/h8-9,12H,4-7H2,1-3H3.
What are the key properties of 2-(2,3,4-trimethylpiperazin-1-yl)ethanol?
2-(2,3,4-trimethylpiperazin-1-yl)ethanol has a molecular weight of 172.27 g/mol, XLogP of 0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4-trimethylpiperazin-1-yl)ethanol is sourced from PubChem (CID 127732557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).