2,3,6-trimethyl-4-(piperidin-3-ylmethyl)morpholine

C13H26N2O — CID 120854687

IUPAC2,3,6-trimethyl-4-(piperidin-3-ylmethyl)morpholine
SMILESCC1CN(CC2CCCNC2)C(C)C(C)O1
InChIInChI=1S/C13H26N2O/c1-10-8-15(11(2)12(3)16-10)9-13-5-4-6-14-7-13/h10-14H,4-9H2,1-3H3
InChIKeyINHXESLTEFFMLL-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.48
Rot. Bonds2

About 2,3,6-trimethyl-4-(piperidin-3-ylmethyl)morpholine

2,3,6-trimethyl-4-(piperidin-3-ylmethyl)morpholine (PubChem CID 120854687) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2,3,6-trimethyl-4-(piperidin-3-ylmethyl)morpholine.

Molecular Properties

Compound Name2,3,6-trimethyl-4-(piperidin-3-ylmethyl)morpholine
PubChem CID120854687
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2,3,6-trimethyl-4-(piperidin-3-ylmethyl)morpholine
SMILESCC1CN(CC2CCCNC2)C(C)C(C)O1
InChIInChI=1S/C13H26N2O/c1-10-8-15(11(2)12(3)16-10)9-13-5-4-6-14-7-13/h10-14H,4-9H2,1-3H3
InChIKeyINHXESLTEFFMLL-UHFFFAOYSA-N
XLogP1.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-2,5-dimethyl-4-(piperidin-3-ylmethyl)piperazine
CID 120848946
2,3,5-trimethyl-1-(piperidin-3-ylmethyl)piperidine;hydrochloride
CID 120857311
3-[(3,4-dimethylpyrrolidin-1-yl)methyl]piperidine
CID 79187862
3-methyl-4-(piperidin-3-ylmethyl)morpholine
CID 43542278
(3S)-3-[(2-ethylpyrrolidin-1-yl)methyl]piperidine
CID 130522112
(3S)-3-methyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine
CID 124802901
3-[(3-benzyl-2-methylpyrrolidin-1-yl)methyl]piperidine
CID 119932171
(2R,3R,4R,5S)-2-methyl-3,4,5-tris(phenylmethoxy)-1-[[(3R)-piperidin-3-yl]methyl]piperidine
CID 155286796
2-ethyl-4-methyl-1-(piperidin-3-ylmethyl)-1,4-diazepane
CID 114086520
5-ethyl-2-methyl-4-(pyrrolidin-3-ylmethyl)morpholine
CID 62371779
(2S)-2-ethyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine
CID 124814973
3-[(3,3-dimethylazetidin-1-yl)methyl]piperidine
CID 79678705

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethyl-4-(piperidin-3-ylmethyl)morpholine?
The IUPAC name of 2,3,6-trimethyl-4-(piperidin-3-ylmethyl)morpholine (CID 120854687) is 2,3,6-trimethyl-4-(piperidin-3-ylmethyl)morpholine.
What is the SMILES notation for 2,3,6-trimethyl-4-(piperidin-3-ylmethyl)morpholine?
The canonical SMILES for 2,3,6-trimethyl-4-(piperidin-3-ylmethyl)morpholine is CC1CN(CC2CCCNC2)C(C)C(C)O1.
What is the InChIKey of 2,3,6-trimethyl-4-(piperidin-3-ylmethyl)morpholine?
The InChIKey is INHXESLTEFFMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10-8-15(11(2)12(3)16-10)9-13-5-4-6-14-7-13/h10-14H,4-9H2,1-3H3.
What are the key properties of 2,3,6-trimethyl-4-(piperidin-3-ylmethyl)morpholine?
2,3,6-trimethyl-4-(piperidin-3-ylmethyl)morpholine has a molecular weight of 226.36 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trimethyl-4-(piperidin-3-ylmethyl)morpholine is sourced from PubChem (CID 120854687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).