(2R)-1-[(2S)-2-methyl-4-(2-methylprop-2-enyl)piperazin-1-yl]propan-2-ol

C12H24N2O — CID 95610920

IUPAC(2R)-1-[(2S)-2-methyl-4-(2-methylprop-2-enyl)piperazin-1-yl]propan-2-ol
SMILESC=C(C)CN1CCN(C[C@@H](C)O)[C@@H](C)C1
InChIInChI=1S/C12H24N2O/c1-10(2)7-13-5-6-14(9-12(4)15)11(3)8-13/h11-12,15H,1,5-9H2,2-4H3/t11-,12+/m0/s1
InChIKeyQYMIUHLYGAUGDS-NWDGAFQWSA-N
MW212.34 g/mol
LogP0.95
Rot. Bonds4

About (2R)-1-[(2S)-2-methyl-4-(2-methylprop-2-enyl)piperazin-1-yl]propan-2-ol

(2R)-1-[(2S)-2-methyl-4-(2-methylprop-2-enyl)piperazin-1-yl]propan-2-ol (PubChem CID 95610920) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (2R)-1-[(2S)-2-methyl-4-(2-methylprop-2-enyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2S)-2-methyl-4-(2-methylprop-2-enyl)piperazin-1-yl]propan-2-ol
PubChem CID95610920
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(2R)-1-[(2S)-2-methyl-4-(2-methylprop-2-enyl)piperazin-1-yl]propan-2-ol
SMILESC=C(C)CN1CCN(C[C@@H](C)O)[C@@H](C)C1
InChIInChI=1S/C12H24N2O/c1-10(2)7-13-5-6-14(9-12(4)15)11(3)8-13/h11-12,15H,1,5-9H2,2-4H3/t11-,12+/m0/s1
InChIKeyQYMIUHLYGAUGDS-NWDGAFQWSA-N
XLogP0.95
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

(2S)-1-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-2-ol
CID 124776706
4-[(3S)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]butan-1-ol
CID 100842695
N-(2-cyanopropan-2-yl)-2-[(3R)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]-N-methylacetamide
CID 98767203
N-(2-cyanopropan-2-yl)-2-[(3S)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]-N-methylacetamide
CID 100838924
(2S)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-[(3R)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-2-ol
CID 124826594
(2R)-1-[(2S,5R)-4-[(2S)-2-hydroxypropyl]-2,5-dimethylpiperazin-1-yl]propan-2-ol
CID 124524922
(2R)-1-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]propan-2-ol
CID 95610921
2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(3-phenylpropyl)acetamide
CID 56802208
N-ethyl-3-[(3S)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propanamide
CID 124742766
(2S)-1-[(2R)-2-methyl-4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]propan-2-ol
CID 124780455
(2R)-1-[(2S)-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol
CID 98763698
(2R)-1-[(2R)-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95602161

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S)-2-methyl-4-(2-methylprop-2-enyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[(2S)-2-methyl-4-(2-methylprop-2-enyl)piperazin-1-yl]propan-2-ol (CID 95610920) is (2R)-1-[(2S)-2-methyl-4-(2-methylprop-2-enyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[(2S)-2-methyl-4-(2-methylprop-2-enyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[(2S)-2-methyl-4-(2-methylprop-2-enyl)piperazin-1-yl]propan-2-ol is C=C(C)CN1CCN(C[C@@H](C)O)[C@@H](C)C1.
What is the InChIKey of (2R)-1-[(2S)-2-methyl-4-(2-methylprop-2-enyl)piperazin-1-yl]propan-2-ol?
The InChIKey is QYMIUHLYGAUGDS-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10(2)7-13-5-6-14(9-12(4)15)11(3)8-13/h11-12,15H,1,5-9H2,2-4H3/t11-,12+/m0/s1.
What are the key properties of (2R)-1-[(2S)-2-methyl-4-(2-methylprop-2-enyl)piperazin-1-yl]propan-2-ol?
(2R)-1-[(2S)-2-methyl-4-(2-methylprop-2-enyl)piperazin-1-yl]propan-2-ol has a molecular weight of 212.34 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S)-2-methyl-4-(2-methylprop-2-enyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 95610920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).