1-(3-methylpiperazin-2-yl)ethanol

C7H16N2O — CID 170357084

IUPAC1-(3-methylpiperazin-2-yl)ethanol
SMILESCC(O)C1NCCNC1C
InChIInChI=1S/C7H16N2O/c1-5-7(6(2)10)9-4-3-8-5/h5-10H,3-4H2,1-2H3
InChIKeyGZZDFZXXFJIZDQ-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.68
Rot. Bonds1

About 1-(3-methylpiperazin-2-yl)ethanol

1-(3-methylpiperazin-2-yl)ethanol (PubChem CID 170357084) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 1-(3-methylpiperazin-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-methylpiperazin-2-yl)ethanol
PubChem CID170357084
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name1-(3-methylpiperazin-2-yl)ethanol
SMILESCC(O)C1NCCNC1C
InChIInChI=1S/C7H16N2O/c1-5-7(6(2)10)9-4-3-8-5/h5-10H,3-4H2,1-2H3
InChIKeyGZZDFZXXFJIZDQ-UHFFFAOYSA-N
XLogP-0.68
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2,3-dimethylpiperazine
CID 51614849
1-(3-azabicyclo[3.1.0]hexan-2-yl)ethanol
CID 171035054
trans-(2S,3S)-2,3-dimethyl-1,4,7,10,13-pentazacyclopentadecane
CID 10893941
5,6,7-tri(propan-2-yl)-1,4-diazepane
CID 164721166
(3S,4R)-2-[(1R)-1-hydroxyethyl]pyrrolidine-3,4-diol
CID 101139975
(2R,3S,4S)-2-[(1R)-1-hydroxyethyl]pyrrolidine-3,4-diol
CID 55302311
[(2S,3R)-3-methylpiperazin-2-yl]methanol
CID 125425294
(2R,3S)-2-methylpyrrolidin-3-ol
CID 55287364
(3S,4S)-3-[(1S)-1-hydroxyethyl]-4-methylazetidin-2-one
CID 55302117
2-tert-butyl-3-methylpiperazine
CID 116829179
(2S,3R)-2-methylpyrrolidin-3-ol;hydrochloride
CID 67314682
2-methyl-3-[(E)-3-methylpent-3-en-2-yl]pyrrolidine
CID 139459057

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpiperazin-2-yl)ethanol?
The IUPAC name of 1-(3-methylpiperazin-2-yl)ethanol (CID 170357084) is 1-(3-methylpiperazin-2-yl)ethanol.
What is the SMILES notation for 1-(3-methylpiperazin-2-yl)ethanol?
The canonical SMILES for 1-(3-methylpiperazin-2-yl)ethanol is CC(O)C1NCCNC1C.
What is the InChIKey of 1-(3-methylpiperazin-2-yl)ethanol?
The InChIKey is GZZDFZXXFJIZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-5-7(6(2)10)9-4-3-8-5/h5-10H,3-4H2,1-2H3.
What are the key properties of 1-(3-methylpiperazin-2-yl)ethanol?
1-(3-methylpiperazin-2-yl)ethanol has a molecular weight of 144.22 g/mol, XLogP of -0.68, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpiperazin-2-yl)ethanol is sourced from PubChem (CID 170357084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).