(2R)-1-[(2S)-2-ethyl-4-prop-2-enylpiperazin-1-yl]propan-2-ol

C12H24N2O — CID 95766538

IUPAC(2R)-1-[(2S)-2-ethyl-4-prop-2-enylpiperazin-1-yl]propan-2-ol
SMILESC=CCN1CCN(C[C@@H](C)O)[C@@H](CC)C1
InChIInChI=1S/C12H24N2O/c1-4-6-13-7-8-14(9-11(3)15)12(5-2)10-13/h4,11-12,15H,1,5-10H2,2-3H3/t11-,12+/m1/s1
InChIKeyYXXZHLQBSBEOQK-NEPJUHHUSA-N
MW212.34 g/mol
LogP0.95
Rot. Bonds5

About (2R)-1-[(2S)-2-ethyl-4-prop-2-enylpiperazin-1-yl]propan-2-ol

(2R)-1-[(2S)-2-ethyl-4-prop-2-enylpiperazin-1-yl]propan-2-ol (PubChem CID 95766538) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (2R)-1-[(2S)-2-ethyl-4-prop-2-enylpiperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2S)-2-ethyl-4-prop-2-enylpiperazin-1-yl]propan-2-ol
PubChem CID95766538
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(2R)-1-[(2S)-2-ethyl-4-prop-2-enylpiperazin-1-yl]propan-2-ol
SMILESC=CCN1CCN(C[C@@H](C)O)[C@@H](CC)C1
InChIInChI=1S/C12H24N2O/c1-4-6-13-7-8-14(9-11(3)15)12(5-2)10-13/h4,11-12,15H,1,5-10H2,2-3H3/t11-,12+/m1/s1
InChIKeyYXXZHLQBSBEOQK-NEPJUHHUSA-N
XLogP0.95
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-ethyl-1-(2-methoxyethyl)-4-prop-2-enylpiperazine
CID 95333013
4-[(3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]butanenitrile
CID 98767254
(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[(3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 124840010
3-[(3S)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 98767301
3-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 95766552
(2R)-1-[(2R)-2-ethyl-4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95766588
(2R)-1-[(2S)-2-ethyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]propan-2-ol
CID 97027080
1-[4-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-ethylpiperazin-1-yl]propan-2-ol
CID 71932950
(2R)-1-[(2R)-4-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-ethylpiperazin-1-yl]propan-2-ol
CID 100866973
2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 95602370
(2R)-1-[(2R)-4-[(5-chlorothiadiazol-4-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol
CID 95978192
3-[[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]methyl]benzoic acid
CID 122029016

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S)-2-ethyl-4-prop-2-enylpiperazin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[(2S)-2-ethyl-4-prop-2-enylpiperazin-1-yl]propan-2-ol (CID 95766538) is (2R)-1-[(2S)-2-ethyl-4-prop-2-enylpiperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[(2S)-2-ethyl-4-prop-2-enylpiperazin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[(2S)-2-ethyl-4-prop-2-enylpiperazin-1-yl]propan-2-ol is C=CCN1CCN(C[C@@H](C)O)[C@@H](CC)C1.
What is the InChIKey of (2R)-1-[(2S)-2-ethyl-4-prop-2-enylpiperazin-1-yl]propan-2-ol?
The InChIKey is YXXZHLQBSBEOQK-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-6-13-7-8-14(9-11(3)15)12(5-2)10-13/h4,11-12,15H,1,5-10H2,2-3H3/t11-,12+/m1/s1.
What are the key properties of (2R)-1-[(2S)-2-ethyl-4-prop-2-enylpiperazin-1-yl]propan-2-ol?
(2R)-1-[(2S)-2-ethyl-4-prop-2-enylpiperazin-1-yl]propan-2-ol has a molecular weight of 212.34 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S)-2-ethyl-4-prop-2-enylpiperazin-1-yl]propan-2-ol is sourced from PubChem (CID 95766538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).