(2R)-2-[[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-4-methylmorpholine

C17H31N5O — CID 98768790

IUPAC(2R)-2-[[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-4-methylmorpholine
SMILESCCn1ccnc1CN1CCN(C[C@H]2CN(C)CCO2)C[C@@H]1C
InChIInChI=1S/C17H31N5O/c1-4-21-6-5-18-17(21)14-22-8-7-20(11-15(22)2)13-16-12-19(3)9-10-23-16/h5-6,15-16H,4,7-14H2,1-3H3/t15-,16+/m0/s1
InChIKeyBHZZLOZWTRJPAA-JKSUJKDBSA-N
MW321.47 g/mol
LogP0.74
Rot. Bonds5

About (2R)-2-[[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-4-methylmorpholine

(2R)-2-[[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-4-methylmorpholine (PubChem CID 98768790) has the molecular formula C17H31N5O and a molecular weight of 321.47 g/mol. Its IUPAC name is (2R)-2-[[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-4-methylmorpholine.

Molecular Properties

Compound Name(2R)-2-[[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-4-methylmorpholine
PubChem CID98768790
Molecular FormulaC17H31N5O
Molecular Weight321.47 g/mol
Exact Mass321.25
IUPAC Name(2R)-2-[[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-4-methylmorpholine
SMILESCCn1ccnc1CN1CCN(C[C@H]2CN(C)CCO2)C[C@@H]1C
InChIInChI=1S/C17H31N5O/c1-4-21-6-5-18-17(21)14-22-8-7-20(11-15(22)2)13-16-12-19(3)9-10-23-16/h5-6,15-16H,4,7-14H2,1-3H3/t15-,16+/m0/s1
InChIKeyBHZZLOZWTRJPAA-JKSUJKDBSA-N
XLogP0.74
TPSA36.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-4-methylmorpholine with MolForge

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Related Compounds

(2R)-1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-[[(2S)-oxan-2-yl]methyl]piperazine
CID 124840308
(2S)-1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-propylpiperazine
CID 100838868
1-[4-[[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]piperidin-1-yl]ethanone
CID 154798166
5-[[(3R)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 124726013
5-tert-butyl-2-[[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-1,3-oxazole
CID 95298580
(2S)-1-[(2R)-2-methyl-4-[[(2S)-4-methylmorpholin-2-yl]methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 95979171
2-[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 95766414
(2S)-4-methyl-2-[[(3S)-3-methyl-4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]methyl]morpholine
CID 95750583
1-[(4-methylmorpholin-2-yl)methyl]imidazole-2-carbaldehyde
CID 79182107
1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidin-4-amine
CID 115313237
4-[[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-3-fluorobenzonitrile
CID 154747934
(2R)-1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperazine
CID 82761036

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-4-methylmorpholine?
The IUPAC name of (2R)-2-[[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-4-methylmorpholine (CID 98768790) is (2R)-2-[[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-4-methylmorpholine.
What is the SMILES notation for (2R)-2-[[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-4-methylmorpholine?
The canonical SMILES for (2R)-2-[[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-4-methylmorpholine is CCn1ccnc1CN1CCN(C[C@H]2CN(C)CCO2)C[C@@H]1C.
What is the InChIKey of (2R)-2-[[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-4-methylmorpholine?
The InChIKey is BHZZLOZWTRJPAA-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H31N5O/c1-4-21-6-5-18-17(21)14-22-8-7-20(11-15(22)2)13-16-12-19(3)9-10-23-16/h5-6,15-16H,4,7-14H2,1-3H3/t15-,16+/m0/s1.
What are the key properties of (2R)-2-[[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-4-methylmorpholine?
(2R)-2-[[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-4-methylmorpholine has a molecular weight of 321.47 g/mol, XLogP of 0.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-4-methylmorpholine is sourced from PubChem (CID 98768790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).