3-methyl-3-morpholin-4-yl-1-(oxan-4-yl)butan-2-ol

C14H27NO3 — CID 79044827

IUPAC3-methyl-3-morpholin-4-yl-1-(oxan-4-yl)butan-2-ol
SMILESCC(C)(C(O)CC1CCOCC1)N1CCOCC1
InChIInChI=1S/C14H27NO3/c1-14(2,15-5-9-18-10-6-15)13(16)11-12-3-7-17-8-4-12/h12-13,16H,3-11H2,1-2H3
InChIKeyOKCPDODQJWBUOK-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.27
Rot. Bonds4

About 3-methyl-3-morpholin-4-yl-1-(oxan-4-yl)butan-2-ol

3-methyl-3-morpholin-4-yl-1-(oxan-4-yl)butan-2-ol (PubChem CID 79044827) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 3-methyl-3-morpholin-4-yl-1-(oxan-4-yl)butan-2-ol.

Molecular Properties

Compound Name3-methyl-3-morpholin-4-yl-1-(oxan-4-yl)butan-2-ol
PubChem CID79044827
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name3-methyl-3-morpholin-4-yl-1-(oxan-4-yl)butan-2-ol
SMILESCC(C)(C(O)CC1CCOCC1)N1CCOCC1
InChIInChI=1S/C14H27NO3/c1-14(2,15-5-9-18-10-6-15)13(16)11-12-3-7-17-8-4-12/h12-13,16H,3-11H2,1-2H3
InChIKeyOKCPDODQJWBUOK-UHFFFAOYSA-N
XLogP1.27
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-1-(oxan-4-yl)butan-2-ol
CID 62606524
1-cyclopropyl-3-methyl-3-piperidin-1-ylbutan-2-ol
CID 79044925
3-methyl-1-(oxan-4-yl)butane-2,3-diol
CID 103448944
N,3-dimethyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine
CID 79055647
3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine
CID 79056544
N-ethyl-3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine
CID 79056741
3-methoxy-3-methyl-1-(oxan-4-yl)pentan-2-ol
CID 116751875
2,5-dimethyl-2-morpholin-4-yloctan-3-ol
CID 79045735
3-methyl-1-(oxan-4-yl)-3-phenylbutan-2-ol
CID 63084011
1-cyclopropyl-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine
CID 79050729
1-(2-ethylcyclohexyl)-2-methyl-2-morpholin-4-ylpropan-1-ol
CID 79045058
1-(4-ethylcyclohexyl)-2-methyl-2-morpholin-4-ylbutan-1-ol
CID 79065767

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-morpholin-4-yl-1-(oxan-4-yl)butan-2-ol?
The IUPAC name of 3-methyl-3-morpholin-4-yl-1-(oxan-4-yl)butan-2-ol (CID 79044827) is 3-methyl-3-morpholin-4-yl-1-(oxan-4-yl)butan-2-ol.
What is the SMILES notation for 3-methyl-3-morpholin-4-yl-1-(oxan-4-yl)butan-2-ol?
The canonical SMILES for 3-methyl-3-morpholin-4-yl-1-(oxan-4-yl)butan-2-ol is CC(C)(C(O)CC1CCOCC1)N1CCOCC1.
What is the InChIKey of 3-methyl-3-morpholin-4-yl-1-(oxan-4-yl)butan-2-ol?
The InChIKey is OKCPDODQJWBUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-14(2,15-5-9-18-10-6-15)13(16)11-12-3-7-17-8-4-12/h12-13,16H,3-11H2,1-2H3.
What are the key properties of 3-methyl-3-morpholin-4-yl-1-(oxan-4-yl)butan-2-ol?
3-methyl-3-morpholin-4-yl-1-(oxan-4-yl)butan-2-ol has a molecular weight of 257.37 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-morpholin-4-yl-1-(oxan-4-yl)butan-2-ol is sourced from PubChem (CID 79044827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).