(2S)-1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-propylpiperazine

C14H26N4 — CID 100838868

IUPAC(2S)-1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-propylpiperazine
SMILESCCCN1CCN(Cc2nccn2CC)[C@@H](C)C1
InChIInChI=1S/C14H26N4/c1-4-7-16-9-10-18(13(3)11-16)12-14-15-6-8-17(14)5-2/h6,8,13H,4-5,7,9-12H2,1-3H3/t13-/m0/s1
InChIKeyZRIWZTIHJSOGEB-ZDUSSCGKSA-N
MW250.39 g/mol
LogP1.82
Rot. Bonds5

About (2S)-1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-propylpiperazine

(2S)-1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-propylpiperazine (PubChem CID 100838868) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is (2S)-1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-propylpiperazine.

Molecular Properties

Compound Name(2S)-1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-propylpiperazine
PubChem CID100838868
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name(2S)-1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-propylpiperazine
SMILESCCCN1CCN(Cc2nccn2CC)[C@@H](C)C1
InChIInChI=1S/C14H26N4/c1-4-7-16-9-10-18(13(3)11-16)12-14-15-6-8-17(14)5-2/h6,8,13H,4-5,7,9-12H2,1-3H3/t13-/m0/s1
InChIKeyZRIWZTIHJSOGEB-ZDUSSCGKSA-N
XLogP1.82
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-4-methylmorpholine
CID 98768790
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
(2R)-1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-[[(2S)-oxan-2-yl]methyl]piperazine
CID 124840308
1-[4-[[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]piperidin-1-yl]ethanone
CID 154798166
(2R)-2-methyl-4-phenyl-1-[(1-propylimidazol-2-yl)methyl]piperazine
CID 124752379
(4aR,7aS)-4-[(1-ethylimidazol-2-yl)methyl]-1-propyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70744632
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
1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidin-4-amine
CID 115313237
2-[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 95766414
2-[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole
CID 154747883

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-propylpiperazine?
The IUPAC name of (2S)-1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-propylpiperazine (CID 100838868) is (2S)-1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-propylpiperazine.
What is the SMILES notation for (2S)-1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-propylpiperazine?
The canonical SMILES for (2S)-1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-propylpiperazine is CCCN1CCN(Cc2nccn2CC)[C@@H](C)C1.
What is the InChIKey of (2S)-1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-propylpiperazine?
The InChIKey is ZRIWZTIHJSOGEB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H26N4/c1-4-7-16-9-10-18(13(3)11-16)12-14-15-6-8-17(14)5-2/h6,8,13H,4-5,7,9-12H2,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-propylpiperazine?
(2S)-1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-propylpiperazine has a molecular weight of 250.39 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-propylpiperazine is sourced from PubChem (CID 100838868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).