(2S,6R)-2,4,6-trimethyloxane;(3S,5R)-1,3,5-trimethylpiperidine

C16H33NO — CID 158823393

IUPAC(2S,6R)-2,4,6-trimethyloxane;(3S,5R)-1,3,5-trimethylpiperidine
SMILESCC1C[C@@H](C)O[C@@H](C)C1.C[C@@H]1C[C@H](C)CN(C)C1
InChIInChI=1S/C8H17N.C8H16O/c1-7-4-8(2)6-9(3)5-7;1-6-4-7(2)9-8(3)5-6/h7-8H,4-6H2,1-3H3;6-8H,4-5H2,1-3H3/t7-,8+;6?,7-,8+
InChIKeyIWDPKOCHWUYLEV-VHXXEBRASA-N
MW255.45 g/mol
LogP3.80
Rot. Bonds

About (2S,6R)-2,4,6-trimethyloxane;(3S,5R)-1,3,5-trimethylpiperidine

(2S,6R)-2,4,6-trimethyloxane;(3S,5R)-1,3,5-trimethylpiperidine (PubChem CID 158823393) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is (2S,6R)-2,4,6-trimethyloxane;(3S,5R)-1,3,5-trimethylpiperidine.

Molecular Properties

Compound Name(2S,6R)-2,4,6-trimethyloxane;(3S,5R)-1,3,5-trimethylpiperidine
PubChem CID158823393
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name(2S,6R)-2,4,6-trimethyloxane;(3S,5R)-1,3,5-trimethylpiperidine
SMILESCC1C[C@@H](C)O[C@@H](C)C1.C[C@@H]1C[C@H](C)CN(C)C1
InChIInChI=1S/C8H17N.C8H16O/c1-7-4-8(2)6-9(3)5-7;1-6-4-7(2)9-8(3)5-6/h7-8H,4-6H2,1-3H3;6-8H,4-5H2,1-3H3/t7-,8+;6?,7-,8+
InChIKeyIWDPKOCHWUYLEV-VHXXEBRASA-N
XLogP3.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S,6R)-2,4,6-trimethyloxane;(3S,5R)-1,3,5-trimethylpiperidine with MolForge

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Related Compounds

N-methyl-4-(oxan-4-yl)-N-(oxan-4-ylmethyl)butan-1-amine
CID 100703721
1-[(5-Fluoro-3-methyloxan-2-yl)methyl]-3-methylpiperidine
CID 70882705
1-[(4-Fluoro-3-methyloxan-2-yl)methyl]-4-methylpiperidine
CID 70882706
1-[(5-Fluoro-3-methyloxan-2-yl)methyl]-4-methylpiperidine
CID 70882707
1-[(4-Fluoro-3-methyloxan-2-yl)methyl]-3-methylpiperidine
CID 70882708
3-Fluoro-4-methyl-1-[(3-methyloxan-2-yl)methyl]piperidine
CID 70882709
(3R,4R)-3-fluoro-4-methyl-1-[[(2S,3R)-3-methyloxan-2-yl]methyl]piperidine
CID 70882711
(3S,4S)-3-fluoro-4-methyl-1-[[(2S,3R)-3-methyloxan-2-yl]methyl]piperidine
CID 70882712
1-[[(2S,3R,5R)-5-fluoro-3-methyloxan-2-yl]methyl]-4-methylpiperidine
CID 70882747
(3R)-1-[[(2S,3S,4R)-4-fluoro-3-methyloxan-2-yl]methyl]-3-methylpiperidine
CID 70882748
1-[[(2S,3S,4R)-4-fluoro-3-methyloxan-2-yl]methyl]-4-methylpiperidine
CID 70882750
1-[[(2S,3R,5S)-5-fluoro-3-methyloxan-2-yl]methyl]-4-methylpiperidine
CID 70882770

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,4,6-trimethyloxane;(3S,5R)-1,3,5-trimethylpiperidine?
The IUPAC name of (2S,6R)-2,4,6-trimethyloxane;(3S,5R)-1,3,5-trimethylpiperidine (CID 158823393) is (2S,6R)-2,4,6-trimethyloxane;(3S,5R)-1,3,5-trimethylpiperidine.
What is the SMILES notation for (2S,6R)-2,4,6-trimethyloxane;(3S,5R)-1,3,5-trimethylpiperidine?
The canonical SMILES for (2S,6R)-2,4,6-trimethyloxane;(3S,5R)-1,3,5-trimethylpiperidine is CC1C[C@@H](C)O[C@@H](C)C1.C[C@@H]1C[C@H](C)CN(C)C1.
What is the InChIKey of (2S,6R)-2,4,6-trimethyloxane;(3S,5R)-1,3,5-trimethylpiperidine?
The InChIKey is IWDPKOCHWUYLEV-VHXXEBRASA-N. The full InChI is InChI=1S/C8H17N.C8H16O/c1-7-4-8(2)6-9(3)5-7;1-6-4-7(2)9-8(3)5-6/h7-8H,4-6H2,1-3H3;6-8H,4-5H2,1-3H3/t7-,8+;6?,7-,8+.
What are the key properties of (2S,6R)-2,4,6-trimethyloxane;(3S,5R)-1,3,5-trimethylpiperidine?
(2S,6R)-2,4,6-trimethyloxane;(3S,5R)-1,3,5-trimethylpiperidine has a molecular weight of 255.45 g/mol, XLogP of 3.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,4,6-trimethyloxane;(3S,5R)-1,3,5-trimethylpiperidine is sourced from PubChem (CID 158823393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).