(2S)-4-butyl-2-ethyl-1-(2-methoxyethyl)piperazine

C13H28N2O — CID 100839425

IUPAC(2S)-4-butyl-2-ethyl-1-(2-methoxyethyl)piperazine
SMILESCCCCN1CCN(CCOC)[C@@H](CC)C1
InChIInChI=1S/C13H28N2O/c1-4-6-7-14-8-9-15(10-11-16-3)13(5-2)12-14/h13H,4-12H2,1-3H3/t13-/m0/s1
InChIKeyGHZBKLXVRWQIAN-ZDUSSCGKSA-N
MW228.38 g/mol
LogP1.83
Rot. Bonds7

About (2S)-4-butyl-2-ethyl-1-(2-methoxyethyl)piperazine

(2S)-4-butyl-2-ethyl-1-(2-methoxyethyl)piperazine (PubChem CID 100839425) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is (2S)-4-butyl-2-ethyl-1-(2-methoxyethyl)piperazine.

Molecular Properties

Compound Name(2S)-4-butyl-2-ethyl-1-(2-methoxyethyl)piperazine
PubChem CID100839425
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name(2S)-4-butyl-2-ethyl-1-(2-methoxyethyl)piperazine
SMILESCCCCN1CCN(CCOC)[C@@H](CC)C1
InChIInChI=1S/C13H28N2O/c1-4-6-7-14-8-9-15(10-11-16-3)13(5-2)12-14/h13H,4-12H2,1-3H3/t13-/m0/s1
InChIKeyGHZBKLXVRWQIAN-ZDUSSCGKSA-N
XLogP1.83
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetonitrile
CID 95333035
(2R)-2-ethyl-1-(2-methoxyethyl)-4-prop-2-enylpiperazine
CID 95333013
N-[2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]ethyl]acetamide
CID 95350415
(2R)-2-ethyl-1-(2-methoxyethyl)-4-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]piperazine
CID 124840342
1-[4-[[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone
CID 95343221
3-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 95602502
(2S)-1-(2-ethoxyethyl)-2-ethyl-4-(2-methylsulfonylethyl)piperazine
CID 95317636
2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-1,3-benzoxazole
CID 95333527
1-[2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetyl]imidazolidin-2-one
CID 95344088
2-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]propanoic acid
CID 119135356
N-(1-cyanocyclopentyl)-2-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetamide
CID 95336625
3-ethyl-4-(2-methoxyethyl)morpholine
CID 157403746

Frequently Asked Questions

What is the IUPAC name of (2S)-4-butyl-2-ethyl-1-(2-methoxyethyl)piperazine?
The IUPAC name of (2S)-4-butyl-2-ethyl-1-(2-methoxyethyl)piperazine (CID 100839425) is (2S)-4-butyl-2-ethyl-1-(2-methoxyethyl)piperazine.
What is the SMILES notation for (2S)-4-butyl-2-ethyl-1-(2-methoxyethyl)piperazine?
The canonical SMILES for (2S)-4-butyl-2-ethyl-1-(2-methoxyethyl)piperazine is CCCCN1CCN(CCOC)[C@@H](CC)C1.
What is the InChIKey of (2S)-4-butyl-2-ethyl-1-(2-methoxyethyl)piperazine?
The InChIKey is GHZBKLXVRWQIAN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-6-7-14-8-9-15(10-11-16-3)13(5-2)12-14/h13H,4-12H2,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-4-butyl-2-ethyl-1-(2-methoxyethyl)piperazine?
(2S)-4-butyl-2-ethyl-1-(2-methoxyethyl)piperazine has a molecular weight of 228.38 g/mol, XLogP of 1.83, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-butyl-2-ethyl-1-(2-methoxyethyl)piperazine is sourced from PubChem (CID 100839425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).