(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[(3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol

C18H37N3O3 — CID 124840010

IUPAC(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[(3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
SMILESCC[C@@H]1CN(C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CCN1C[C@H](C)O
InChIInChI=1S/C18H37N3O3/c1-5-17-11-19(6-7-21(17)8-14(2)22)12-18(23)13-20-9-15(3)24-16(4)10-20/h14-18,22-23H,5-13H2,1-4H3/t14-,15-,16+,17+,18-/m0/s1
InChIKeyAUDGEQSLMUPVLK-AVEIZBFRSA-N
MW343.51 g/mol
LogP0.23
Rot. Bonds7

About (2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[(3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol

(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[(3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol (PubChem CID 124840010) has the molecular formula C18H37N3O3 and a molecular weight of 343.51 g/mol. Its IUPAC name is (2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[(3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[(3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
PubChem CID124840010
Molecular FormulaC18H37N3O3
Molecular Weight343.51 g/mol
Exact Mass343.28
IUPAC Name(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[(3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
SMILESCC[C@@H]1CN(C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CCN1C[C@H](C)O
InChIInChI=1S/C18H37N3O3/c1-5-17-11-19(6-7-21(17)8-14(2)22)12-18(23)13-20-9-15(3)24-16(4)10-20/h14-18,22-23H,5-13H2,1-4H3/t14-,15-,16+,17+,18-/m0/s1
InChIKeyAUDGEQSLMUPVLK-AVEIZBFRSA-N
XLogP0.23
TPSA59.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[(3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

(2S)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-[(3R)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-2-ol
CID 124826594
1,3-bis(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 70522448
(2R)-1-[(2S)-2-ethyl-4-prop-2-enylpiperazin-1-yl]propan-2-ol
CID 95766538
4-[(3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]butanenitrile
CID 98767254
1-(2,6-dimethylmorpholin-4-yl)-3-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol
CID 111512146
1-bromo-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 104959987
(2S)-1-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-2-ol
CID 124776706
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
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
1-(2-methylmorpholin-4-yl)propan-2-ol
CID 60886312

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[(3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of (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) is (2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[(3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[(3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[(3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol is CC[C@@H]1CN(C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CCN1C[C@H](C)O.
What is the InChIKey of (2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[(3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol?
The InChIKey is AUDGEQSLMUPVLK-AVEIZBFRSA-N. The full InChI is InChI=1S/C18H37N3O3/c1-5-17-11-19(6-7-21(17)8-14(2)22)12-18(23)13-20-9-15(3)24-16(4)10-20/h14-18,22-23H,5-13H2,1-4H3/t14-,15-,16+,17+,18-/m0/s1.
What are the key properties of (2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[(3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol?
(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[(3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol has a molecular weight of 343.51 g/mol, XLogP of 0.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[(3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 124840010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).