(2S,6R)-2-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]-6-methylmorpholine

C12H25N3O — CID 141468118

IUPAC(2S,6R)-2-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]-6-methylmorpholine
SMILESC[C@@H]1CNC[C@@H](CN2CCN(C)C[C@@H]2C)O1
InChIInChI=1S/C12H25N3O/c1-10-8-14(3)4-5-15(10)9-12-7-13-6-11(2)16-12/h10-13H,4-9H2,1-3H3/t10-,11+,12-/m0/s1
InChIKeyPYSZPDMPJLPZJQ-TUAOUCFPSA-N
MW227.35 g/mol
LogP-0.00
Rot. Bonds2

About (2S,6R)-2-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]-6-methylmorpholine

(2S,6R)-2-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]-6-methylmorpholine (PubChem CID 141468118) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is (2S,6R)-2-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]-6-methylmorpholine.

Molecular Properties

Compound Name(2S,6R)-2-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]-6-methylmorpholine
PubChem CID141468118
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name(2S,6R)-2-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]-6-methylmorpholine
SMILESC[C@@H]1CNC[C@@H](CN2CCN(C)C[C@@H]2C)O1
InChIInChI=1S/C12H25N3O/c1-10-8-14(3)4-5-15(10)9-12-7-13-6-11(2)16-12/h10-13H,4-9H2,1-3H3/t10-,11+,12-/m0/s1
InChIKeyPYSZPDMPJLPZJQ-TUAOUCFPSA-N
XLogP-0.00
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]piperidin-2-yl]methanol
CID 141468073
(2R)-1-(cyclobutylmethyl)-2,4-dimethylpiperazine
CID 130719012
2,4-dimethyl-1-(piperidin-4-ylmethyl)piperazine;2-methylpropane
CID 165137195
2-(2,4-dimethylpiperazin-1-yl)ethanamine
CID 66568123
(2S,6R)-2-(methoxymethyl)-6-methylmorpholine
CID 95252382
(2S)-2,4-dimethyl-1-(2-methylpropyl)piperazine
CID 171515421
trimethyl-[(6-methylmorpholin-2-yl)methoxy]silane
CID 102633580
2-(cyclopentylmethyl)-6-methylmorpholine
CID 103159107
2,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine
CID 82837846
2-(cyclohexylmethoxymethyl)-6-methylmorpholine
CID 102633903
7-methyl-1-[(5-methyloxolan-2-yl)methyl]-1,4-diazepane
CID 103141669
2-methyl-6-(morpholin-2-ylmethyl)morpholine
CID 123413521

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]-6-methylmorpholine?
The IUPAC name of (2S,6R)-2-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]-6-methylmorpholine (CID 141468118) is (2S,6R)-2-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]-6-methylmorpholine.
What is the SMILES notation for (2S,6R)-2-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]-6-methylmorpholine?
The canonical SMILES for (2S,6R)-2-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]-6-methylmorpholine is C[C@@H]1CNC[C@@H](CN2CCN(C)C[C@@H]2C)O1.
What is the InChIKey of (2S,6R)-2-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]-6-methylmorpholine?
The InChIKey is PYSZPDMPJLPZJQ-TUAOUCFPSA-N. The full InChI is InChI=1S/C12H25N3O/c1-10-8-14(3)4-5-15(10)9-12-7-13-6-11(2)16-12/h10-13H,4-9H2,1-3H3/t10-,11+,12-/m0/s1.
What are the key properties of (2S,6R)-2-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]-6-methylmorpholine?
(2S,6R)-2-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]-6-methylmorpholine has a molecular weight of 227.35 g/mol, XLogP of -0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]-6-methylmorpholine is sourced from PubChem (CID 141468118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).