(2S)-1-[(2R)-2-methyl-4-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]piperazin-1-yl]propan-2-ol

C17H34N2O2 — CID 124840080

IUPAC(2S)-1-[(2R)-2-methyl-4-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]piperazin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCN(CCO[C@@H]2CCCC[C@H]2C)C[C@H]1C
InChIInChI=1S/C17H34N2O2/c1-14-6-4-5-7-17(14)21-11-10-18-8-9-19(13-16(3)20)15(2)12-18/h14-17,20H,4-13H2,1-3H3/t14-,15-,16+,17-/m1/s1
InChIKeyHJKMFYUHPTUJKZ-WCXIOVBPSA-N
MW298.47 g/mol
LogP1.97
Rot. Bonds6

About (2S)-1-[(2R)-2-methyl-4-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]piperazin-1-yl]propan-2-ol

(2S)-1-[(2R)-2-methyl-4-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]piperazin-1-yl]propan-2-ol (PubChem CID 124840080) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is (2S)-1-[(2R)-2-methyl-4-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2R)-2-methyl-4-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]piperazin-1-yl]propan-2-ol
PubChem CID124840080
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name(2S)-1-[(2R)-2-methyl-4-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]piperazin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCN(CCO[C@@H]2CCCC[C@H]2C)C[C@H]1C
InChIInChI=1S/C17H34N2O2/c1-14-6-4-5-7-17(14)21-11-10-18-8-9-19(13-16(3)20)15(2)12-18/h14-17,20H,4-13H2,1-3H3/t14-,15-,16+,17-/m1/s1
InChIKeyHJKMFYUHPTUJKZ-WCXIOVBPSA-N
XLogP1.97
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[(2R)-2-methyl-4-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]piperazin-1-yl]propan-2-ol with MolForge

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Related Compounds

(2R)-1-(2-ethoxyethyl)-2-methyl-4-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]piperazine
CID 124826688
(2S)-1-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-2-ol
CID 124776706
1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-propylpiperazine
CID 94827999
1-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]-4-propylpiperazine
CID 95284863
4-[(3S)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]butan-1-ol
CID 100842695
(2R)-2-ethyl-1-(2-methoxyethyl)-4-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]piperazine
CID 124840342
(1S)-2-[4-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]piperazin-1-yl]-1-phenylethanol
CID 100838911
(2S)-1-[(2R)-2-methyl-4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]propan-2-ol
CID 124780455
2-[(3R)-3-methyl-4-(2-methylpropyl)piperazin-1-yl]ethanol
CID 166175492
(2R)-1-[(2S)-2-methyl-4-(2-methylprop-2-enyl)piperazin-1-yl]propan-2-ol
CID 95610920
(2S)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-[(3R)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-2-ol
CID 124826594
N-ethyl-3-[(3S)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propanamide
CID 124742766

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R)-2-methyl-4-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-[(2R)-2-methyl-4-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]piperazin-1-yl]propan-2-ol (CID 124840080) is (2S)-1-[(2R)-2-methyl-4-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[(2R)-2-methyl-4-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[(2R)-2-methyl-4-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]piperazin-1-yl]propan-2-ol is C[C@H](O)CN1CCN(CCO[C@@H]2CCCC[C@H]2C)C[C@H]1C.
What is the InChIKey of (2S)-1-[(2R)-2-methyl-4-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]piperazin-1-yl]propan-2-ol?
The InChIKey is HJKMFYUHPTUJKZ-WCXIOVBPSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-14-6-4-5-7-17(14)21-11-10-18-8-9-19(13-16(3)20)15(2)12-18/h14-17,20H,4-13H2,1-3H3/t14-,15-,16+,17-/m1/s1.
What are the key properties of (2S)-1-[(2R)-2-methyl-4-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]piperazin-1-yl]propan-2-ol?
(2S)-1-[(2R)-2-methyl-4-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]piperazin-1-yl]propan-2-ol has a molecular weight of 298.47 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R)-2-methyl-4-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 124840080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).