(2S)-1-[(2S)-2-ethylpiperazin-1-yl]propan-2-ol

C9H20N2O — CID 98219220

IUPAC(2S)-1-[(2S)-2-ethylpiperazin-1-yl]propan-2-ol
SMILESCC[C@H]1CNCCN1C[C@H](C)O
InChIInChI=1S/C9H20N2O/c1-3-9-6-10-4-5-11(9)7-8(2)12/h8-10,12H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyVTDXGKKJBHENSM-IUCAKERBSA-N
MW172.27 g/mol
LogP0.05
Rot. Bonds3

About (2S)-1-[(2S)-2-ethylpiperazin-1-yl]propan-2-ol

(2S)-1-[(2S)-2-ethylpiperazin-1-yl]propan-2-ol (PubChem CID 98219220) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-ethylpiperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-ethylpiperazin-1-yl]propan-2-ol
PubChem CID98219220
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name(2S)-1-[(2S)-2-ethylpiperazin-1-yl]propan-2-ol
SMILESCC[C@H]1CNCCN1C[C@H](C)O
InChIInChI=1S/C9H20N2O/c1-3-9-6-10-4-5-11(9)7-8(2)12/h8-10,12H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyVTDXGKKJBHENSM-IUCAKERBSA-N
XLogP0.05
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-(2-methylbutyl)piperazine
CID 63601291
1-(2,2-difluoroethyl)-2-ethylpiperazine
CID 63600944
1-[(2R)-2-hydroxypropyl]piperazine-2-carboxylic acid
CID 106933551
1-[(2S)-2-hydroxypropyl]piperazine-2-carbonitrile
CID 106933588
1-[(2S)-2-hydroxypropyl]piperazine-2-carboxamide
CID 106933554
acetic acid;azane;1,2-diethylpiperazine
CID 174720092
(2R)-2-ethyl-1-propan-2-ylpiperazine
CID 51627942
2-ethyl-1-(2-propan-2-ylsulfonylethyl)piperazine
CID 106725856
1-(2-methylbutyl)-2-(2-methylpropyl)piperazine
CID 64846849
2-ethyl-1-propan-2-ylpiperazine;hydrochloride
CID 174972319
(2R)-2-ethyl-1-propan-2-ylpiperazine;hydrochloride
CID 141432719
[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
CID 119880227

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-ethylpiperazin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-[(2S)-2-ethylpiperazin-1-yl]propan-2-ol (CID 98219220) is (2S)-1-[(2S)-2-ethylpiperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[(2S)-2-ethylpiperazin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[(2S)-2-ethylpiperazin-1-yl]propan-2-ol is CC[C@H]1CNCCN1C[C@H](C)O.
What is the InChIKey of (2S)-1-[(2S)-2-ethylpiperazin-1-yl]propan-2-ol?
The InChIKey is VTDXGKKJBHENSM-IUCAKERBSA-N. The full InChI is InChI=1S/C9H20N2O/c1-3-9-6-10-4-5-11(9)7-8(2)12/h8-10,12H,3-7H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-ethylpiperazin-1-yl]propan-2-ol?
(2S)-1-[(2S)-2-ethylpiperazin-1-yl]propan-2-ol has a molecular weight of 172.27 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-ethylpiperazin-1-yl]propan-2-ol is sourced from PubChem (CID 98219220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).