[4-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-4-yl]methanol

C14H27NO3 — CID 62391374

IUPAC[4-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-4-yl]methanol
SMILESCC1CN(CC2(CO)CCOCC2)CC(C)(C)O1
InChIInChI=1S/C14H27NO3/c1-12-8-15(9-13(2,3)18-12)10-14(11-16)4-6-17-7-5-14/h12,16H,4-11H2,1-3H3
InChIKeyBRWCZKUDSGYFIT-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.27
Rot. Bonds3

About [4-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-4-yl]methanol

[4-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-4-yl]methanol (PubChem CID 62391374) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is [4-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-4-yl]methanol
PubChem CID62391374
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name[4-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-4-yl]methanol
SMILESCC1CN(CC2(CO)CCOCC2)CC(C)(C)O1
InChIInChI=1S/C14H27NO3/c1-12-8-15(9-13(2,3)18-12)10-14(11-16)4-6-17-7-5-14/h12,16H,4-11H2,1-3H3
InChIKeyBRWCZKUDSGYFIT-UHFFFAOYSA-N
XLogP1.27
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of [4-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-4-yl]methanol?
The IUPAC name of [4-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-4-yl]methanol (CID 62391374) is [4-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-4-yl]methanol.
What is the SMILES notation for [4-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-4-yl]methanol?
The canonical SMILES for [4-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-4-yl]methanol is CC1CN(CC2(CO)CCOCC2)CC(C)(C)O1.
What is the InChIKey of [4-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-4-yl]methanol?
The InChIKey is BRWCZKUDSGYFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-12-8-15(9-13(2,3)18-12)10-14(11-16)4-6-17-7-5-14/h12,16H,4-11H2,1-3H3.
What are the key properties of [4-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-4-yl]methanol?
[4-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-4-yl]methanol has a molecular weight of 257.37 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-4-yl]methanol is sourced from PubChem (CID 62391374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).