(2R,6S)-2,6-dimethyl-4-(2-methyl-2-piperazin-1-ylpropyl)morpholine

C14H29N3O — CID 104959168

IUPAC(2R,6S)-2,6-dimethyl-4-(2-methyl-2-piperazin-1-ylpropyl)morpholine
SMILESC[C@@H]1CN(CC(C)(C)N2CCNCC2)C[C@H](C)O1
InChIInChI=1S/C14H29N3O/c1-12-9-16(10-13(2)18-12)11-14(3,4)17-7-5-15-6-8-17/h12-13,15H,5-11H2,1-4H3/t12-,13+
InChIKeyVOTSREAKLXDAKK-BETUJISGSA-N
MW255.41 g/mol
LogP0.78
Rot. Bonds3

About (2R,6S)-2,6-dimethyl-4-(2-methyl-2-piperazin-1-ylpropyl)morpholine

(2R,6S)-2,6-dimethyl-4-(2-methyl-2-piperazin-1-ylpropyl)morpholine (PubChem CID 104959168) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is (2R,6S)-2,6-dimethyl-4-(2-methyl-2-piperazin-1-ylpropyl)morpholine.

Molecular Properties

Compound Name(2R,6S)-2,6-dimethyl-4-(2-methyl-2-piperazin-1-ylpropyl)morpholine
PubChem CID104959168
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name(2R,6S)-2,6-dimethyl-4-(2-methyl-2-piperazin-1-ylpropyl)morpholine
SMILESC[C@@H]1CN(CC(C)(C)N2CCNCC2)C[C@H](C)O1
InChIInChI=1S/C14H29N3O/c1-12-9-16(10-13(2)18-12)11-14(3,4)17-7-5-15-6-8-17/h12-13,15H,5-11H2,1-4H3/t12-,13+
InChIKeyVOTSREAKLXDAKK-BETUJISGSA-N
XLogP0.78
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-methyl-1-(3-methylpyrrolidin-1-yl)propan-2-yl]piperazine
CID 80551089
(2R,6S)-4-(2,2-dimethylpropyl)-2,6-dimethylmorpholine
CID 148863425
2,6-dimethyl-4-(piperidin-4-ylmethyl)morpholine
CID 16767739
1-[2-methyl-1-(oxan-4-yl)propan-2-yl]piperazine
CID 116829845
3-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropanoic acid
CID 22683272
4-(2,6-dimethylmorpholin-4-yl)-3,3-dimethylbutan-2-ol
CID 66452172
1-[2-methyl-1-(1-methylpiperidin-4-yl)propan-2-yl]piperazine
CID 116829848
1-(2,6-dimethylmorpholin-4-yl)-N-ethyl-2-methylpropan-2-amine
CID 62835400
3-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropanoyl chloride
CID 82041291
3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pentan-3-ol
CID 103936738
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylpropan-2-ol
CID 102934996
4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-4-ol
CID 62221665

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2,6-dimethyl-4-(2-methyl-2-piperazin-1-ylpropyl)morpholine?
The IUPAC name of (2R,6S)-2,6-dimethyl-4-(2-methyl-2-piperazin-1-ylpropyl)morpholine (CID 104959168) is (2R,6S)-2,6-dimethyl-4-(2-methyl-2-piperazin-1-ylpropyl)morpholine.
What is the SMILES notation for (2R,6S)-2,6-dimethyl-4-(2-methyl-2-piperazin-1-ylpropyl)morpholine?
The canonical SMILES for (2R,6S)-2,6-dimethyl-4-(2-methyl-2-piperazin-1-ylpropyl)morpholine is C[C@@H]1CN(CC(C)(C)N2CCNCC2)C[C@H](C)O1.
What is the InChIKey of (2R,6S)-2,6-dimethyl-4-(2-methyl-2-piperazin-1-ylpropyl)morpholine?
The InChIKey is VOTSREAKLXDAKK-BETUJISGSA-N. The full InChI is InChI=1S/C14H29N3O/c1-12-9-16(10-13(2)18-12)11-14(3,4)17-7-5-15-6-8-17/h12-13,15H,5-11H2,1-4H3/t12-,13+.
What are the key properties of (2R,6S)-2,6-dimethyl-4-(2-methyl-2-piperazin-1-ylpropyl)morpholine?
(2R,6S)-2,6-dimethyl-4-(2-methyl-2-piperazin-1-ylpropyl)morpholine has a molecular weight of 255.41 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2,6-dimethyl-4-(2-methyl-2-piperazin-1-ylpropyl)morpholine is sourced from PubChem (CID 104959168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).