1,3-bis(2,6-dimethylmorpholin-4-yl)propan-2-ol

C15H30N2O3 — CID 70522448

IUPAC1,3-bis(2,6-dimethylmorpholin-4-yl)propan-2-ol
SMILESCC1CN(CC(O)CN2CC(C)OC(C)C2)CC(C)O1
InChIInChI=1S/C15H30N2O3/c1-11-5-16(6-12(2)19-11)9-15(18)10-17-7-13(3)20-14(4)8-17/h11-15,18H,5-10H2,1-4H3
InChIKeyZJICCAGIWIAYIH-UHFFFAOYSA-N
MW286.42 g/mol
LogP0.57
Rot. Bonds4

About 1,3-bis(2,6-dimethylmorpholin-4-yl)propan-2-ol

1,3-bis(2,6-dimethylmorpholin-4-yl)propan-2-ol (PubChem CID 70522448) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1,3-bis(2,6-dimethylmorpholin-4-yl)propan-2-ol.

Molecular Properties

Compound Name1,3-bis(2,6-dimethylmorpholin-4-yl)propan-2-ol
PubChem CID70522448
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name1,3-bis(2,6-dimethylmorpholin-4-yl)propan-2-ol
SMILESCC1CN(CC(O)CN2CC(C)OC(C)C2)CC(C)O1
InChIInChI=1S/C15H30N2O3/c1-11-5-16(6-12(2)19-11)9-15(18)10-17-7-13(3)20-14(4)8-17/h11-15,18H,5-10H2,1-4H3
InChIKeyZJICCAGIWIAYIH-UHFFFAOYSA-N
XLogP0.57
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-bromo-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 104959987
1-(2,6-dimethylmorpholin-4-yl)-3-(3,3-dimethylpyrrolidin-1-yl)propan-2-ol
CID 111489909
(2S)-1-(cyclopropylamino)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 124550922
(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-(4,4-dimethylazepan-1-yl)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 111462765
(2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(5-methyltetrazol-1-yl)propan-2-ol
CID 100730597
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-[cyclopropylmethyl(methyl)amino]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 75405278
(2S)-1-[cyclopropylmethyl(methyl)amino]-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 98845810
(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
1-(2,6-dimethylmorpholin-4-yl)-3-(2-methoxyethylamino)propan-2-ol
CID 78971493
1-(2,6-dimethylmorpholin-4-yl)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
CID 110905093

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,6-dimethylmorpholin-4-yl)propan-2-ol?
The IUPAC name of 1,3-bis(2,6-dimethylmorpholin-4-yl)propan-2-ol (CID 70522448) is 1,3-bis(2,6-dimethylmorpholin-4-yl)propan-2-ol.
What is the SMILES notation for 1,3-bis(2,6-dimethylmorpholin-4-yl)propan-2-ol?
The canonical SMILES for 1,3-bis(2,6-dimethylmorpholin-4-yl)propan-2-ol is CC1CN(CC(O)CN2CC(C)OC(C)C2)CC(C)O1.
What is the InChIKey of 1,3-bis(2,6-dimethylmorpholin-4-yl)propan-2-ol?
The InChIKey is ZJICCAGIWIAYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-11-5-16(6-12(2)19-11)9-15(18)10-17-7-13(3)20-14(4)8-17/h11-15,18H,5-10H2,1-4H3.
What are the key properties of 1,3-bis(2,6-dimethylmorpholin-4-yl)propan-2-ol?
1,3-bis(2,6-dimethylmorpholin-4-yl)propan-2-ol has a molecular weight of 286.42 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2,6-dimethylmorpholin-4-yl)propan-2-ol is sourced from PubChem (CID 70522448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).