(2S,5R)-2-ethyl-1-iodo-4,5-dimethylpiperazine

C8H17IN2 — CID 170290356

IUPAC(2S,5R)-2-ethyl-1-iodo-4,5-dimethylpiperazine
SMILESCC[C@H]1CN(C)[C@H](C)CN1I
InChIInChI=1S/C8H17IN2/c1-4-8-6-10(3)7(2)5-11(8)9/h7-8H,4-6H2,1-3H3/t7-,8+/m1/s1
InChIKeyNFBZNCWYBPXYOO-SFYZADRCSA-N
MW268.14 g/mol
LogP1.75
Rot. Bonds1

About (2S,5R)-2-ethyl-1-iodo-4,5-dimethylpiperazine

(2S,5R)-2-ethyl-1-iodo-4,5-dimethylpiperazine (PubChem CID 170290356) has the molecular formula C8H17IN2 and a molecular weight of 268.14 g/mol. Its IUPAC name is (2S,5R)-2-ethyl-1-iodo-4,5-dimethylpiperazine.

Molecular Properties

Compound Name(2S,5R)-2-ethyl-1-iodo-4,5-dimethylpiperazine
PubChem CID170290356
Molecular FormulaC8H17IN2
Molecular Weight268.14 g/mol
Exact Mass268.04
IUPAC Name(2S,5R)-2-ethyl-1-iodo-4,5-dimethylpiperazine
SMILESCC[C@H]1CN(C)[C@H](C)CN1I
InChIInChI=1S/C8H17IN2/c1-4-8-6-10(3)7(2)5-11(8)9/h7-8H,4-6H2,1-3H3/t7-,8+/m1/s1
InChIKeyNFBZNCWYBPXYOO-SFYZADRCSA-N
XLogP1.75
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

ethane;1,2,4,5-tetramethylpiperazine
CID 164865311
1-iodo-2-methylaziridine
CID 139722499
1,3-diethylazetidine;1,2-dimethylaziridine
CID 161379483
1,4-diethyl-2,3-dimethylimidazolidine;2,4-diethyl-1,3-dimethylimidazolidine
CID 172697863
1,2-dimethylaziridine;propanoic acid
CID 175486579
(2S,5S)-1-butyl-2,4,5-trimethylpiperazine
CID 121478340
2-ethyl-1-methyl-5-propylpiperidine
CID 123231200
[4-[(1S)-1-[(2R,5S)-2-ethyl-4,5-dimethylpiperazin-1-yl]propyl]phenyl]-pentafluoro-λ6-sulfane
CID 170290136
2-ethyl-1-iodopyrrolidine
CID 88932324
2-ethyl-1,3,4-trimethylimidazolidine
CID 66739096
(2S,4R)-2,4-diethyl-1-methylpyrrolidine
CID 176937833
2,6-diethyl-1,4-dimethylpiperazine
CID 21389198

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-ethyl-1-iodo-4,5-dimethylpiperazine?
The IUPAC name of (2S,5R)-2-ethyl-1-iodo-4,5-dimethylpiperazine (CID 170290356) is (2S,5R)-2-ethyl-1-iodo-4,5-dimethylpiperazine.
What is the SMILES notation for (2S,5R)-2-ethyl-1-iodo-4,5-dimethylpiperazine?
The canonical SMILES for (2S,5R)-2-ethyl-1-iodo-4,5-dimethylpiperazine is CC[C@H]1CN(C)[C@H](C)CN1I.
What is the InChIKey of (2S,5R)-2-ethyl-1-iodo-4,5-dimethylpiperazine?
The InChIKey is NFBZNCWYBPXYOO-SFYZADRCSA-N. The full InChI is InChI=1S/C8H17IN2/c1-4-8-6-10(3)7(2)5-11(8)9/h7-8H,4-6H2,1-3H3/t7-,8+/m1/s1.
What are the key properties of (2S,5R)-2-ethyl-1-iodo-4,5-dimethylpiperazine?
(2S,5R)-2-ethyl-1-iodo-4,5-dimethylpiperazine has a molecular weight of 268.14 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2-ethyl-1-iodo-4,5-dimethylpiperazine is sourced from PubChem (CID 170290356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).