(2R)-1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-[[(2S)-oxan-2-yl]methyl]piperazine

C17H30N4O — CID 124840308

IUPAC(2R)-1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-[[(2S)-oxan-2-yl]methyl]piperazine
SMILESCCn1ccnc1CN1CCN(C[C@@H]2CCCCO2)C[C@H]1C
InChIInChI=1S/C17H30N4O/c1-3-20-8-7-18-17(20)14-21-10-9-19(12-15(21)2)13-16-6-4-5-11-22-16/h7-8,15-16H,3-6,9-14H2,1-2H3/t15-,16+/m1/s1
InChIKeyVYMNKXQWSCGXSR-CVEARBPZSA-N
MW306.45 g/mol
LogP1.98
Rot. Bonds5

About (2R)-1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-[[(2S)-oxan-2-yl]methyl]piperazine

(2R)-1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-[[(2S)-oxan-2-yl]methyl]piperazine (PubChem CID 124840308) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is (2R)-1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-[[(2S)-oxan-2-yl]methyl]piperazine.

Molecular Properties

Compound Name(2R)-1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-[[(2S)-oxan-2-yl]methyl]piperazine
PubChem CID124840308
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name(2R)-1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-[[(2S)-oxan-2-yl]methyl]piperazine
SMILESCCn1ccnc1CN1CCN(C[C@@H]2CCCCO2)C[C@H]1C
InChIInChI=1S/C17H30N4O/c1-3-20-8-7-18-17(20)14-21-10-9-19(12-15(21)2)13-16-6-4-5-11-22-16/h7-8,15-16H,3-6,9-14H2,1-2H3/t15-,16+/m1/s1
InChIKeyVYMNKXQWSCGXSR-CVEARBPZSA-N
XLogP1.98
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-[[(2S)-oxan-2-yl]methyl]piperazine with MolForge

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Related Compounds

(2R)-2-[[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-4-methylmorpholine
CID 98768790
(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)-oxan-2-yl]methyl]piperazin-1-yl]propan-2-ol
CID 124780455
2-[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 95766414
(2R)-1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperazine
CID 82761036
1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidin-4-amine
CID 115313237
(4aS,8aR)-1-[(1-ethylimidazol-2-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 100901496
4-[[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-3-fluorobenzonitrile
CID 154747934
1-(1-ethylimidazol-2-yl)-3-(oxan-2-yl)propan-1-amine
CID 115860150

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-[[(2S)-oxan-2-yl]methyl]piperazine?
The IUPAC name of (2R)-1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-[[(2S)-oxan-2-yl]methyl]piperazine (CID 124840308) is (2R)-1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-[[(2S)-oxan-2-yl]methyl]piperazine.
What is the SMILES notation for (2R)-1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-[[(2S)-oxan-2-yl]methyl]piperazine?
The canonical SMILES for (2R)-1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-[[(2S)-oxan-2-yl]methyl]piperazine is CCn1ccnc1CN1CCN(C[C@@H]2CCCCO2)C[C@H]1C.
What is the InChIKey of (2R)-1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-[[(2S)-oxan-2-yl]methyl]piperazine?
The InChIKey is VYMNKXQWSCGXSR-CVEARBPZSA-N. The full InChI is InChI=1S/C17H30N4O/c1-3-20-8-7-18-17(20)14-21-10-9-19(12-15(21)2)13-16-6-4-5-11-22-16/h7-8,15-16H,3-6,9-14H2,1-2H3/t15-,16+/m1/s1.
What are the key properties of (2R)-1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-[[(2S)-oxan-2-yl]methyl]piperazine?
(2R)-1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-[[(2S)-oxan-2-yl]methyl]piperazine has a molecular weight of 306.45 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-[[(2S)-oxan-2-yl]methyl]piperazine is sourced from PubChem (CID 124840308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).