(2S)-1-(2-ethoxyethyl)-2-ethyl-4-[(3R)-oxan-3-yl]piperazine

C15H30N2O2 — CID 97097714

IUPAC(2S)-1-(2-ethoxyethyl)-2-ethyl-4-[(3R)-oxan-3-yl]piperazine
SMILESCCOCCN1CCN([C@@H]2CCCOC2)C[C@@H]1CC
InChIInChI=1S/C15H30N2O2/c1-3-14-12-17(15-6-5-10-19-13-15)8-7-16(14)9-11-18-4-2/h14-15H,3-13H2,1-2H3/t14-,15+/m0/s1
InChIKeyOPPOSKYGJCEKHR-LSDHHAIUSA-N
MW270.42 g/mol
LogP1.60
Rot. Bonds6

About (2S)-1-(2-ethoxyethyl)-2-ethyl-4-[(3R)-oxan-3-yl]piperazine

(2S)-1-(2-ethoxyethyl)-2-ethyl-4-[(3R)-oxan-3-yl]piperazine (PubChem CID 97097714) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is (2S)-1-(2-ethoxyethyl)-2-ethyl-4-[(3R)-oxan-3-yl]piperazine.

Molecular Properties

Compound Name(2S)-1-(2-ethoxyethyl)-2-ethyl-4-[(3R)-oxan-3-yl]piperazine
PubChem CID97097714
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name(2S)-1-(2-ethoxyethyl)-2-ethyl-4-[(3R)-oxan-3-yl]piperazine
SMILESCCOCCN1CCN([C@@H]2CCCOC2)C[C@@H]1CC
InChIInChI=1S/C15H30N2O2/c1-3-14-12-17(15-6-5-10-19-13-15)8-7-16(14)9-11-18-4-2/h14-15H,3-13H2,1-2H3/t14-,15+/m0/s1
InChIKeyOPPOSKYGJCEKHR-LSDHHAIUSA-N
XLogP1.60
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-methyl-4-(oxan-3-yl)piperazin-2-yl]methanol
CID 112710381
3-ethyl-2-(oxan-3-ylmethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 115824881
3-ethyl-2-(oxolan-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 115826069
1-(azetidin-1-yl)-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]ethanone
CID 95331832
2-[(3R)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 95317623
(2S)-1-(2-ethoxyethyl)-2-ethyl-4-(2-methylsulfonylethyl)piperazine
CID 95317636
methyl 1-(oxan-3-yl)pyrrolidine-3-carboxylate
CID 103738651
N-cyclopropyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]acetamide
CID 95331862
[(2S)-1-(2-ethoxyethyl)pyrrolidin-2-yl]methanol
CID 112734321
1-(2-ethoxyethyl)-2-(ethoxymethyl)piperidine
CID 121012447
3-ethyl-4-(2-methoxyethyl)morpholine
CID 157403746
3-ethyl-2-[2-(oxolan-2-yl)ethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79940149

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-ethoxyethyl)-2-ethyl-4-[(3R)-oxan-3-yl]piperazine?
The IUPAC name of (2S)-1-(2-ethoxyethyl)-2-ethyl-4-[(3R)-oxan-3-yl]piperazine (CID 97097714) is (2S)-1-(2-ethoxyethyl)-2-ethyl-4-[(3R)-oxan-3-yl]piperazine.
What is the SMILES notation for (2S)-1-(2-ethoxyethyl)-2-ethyl-4-[(3R)-oxan-3-yl]piperazine?
The canonical SMILES for (2S)-1-(2-ethoxyethyl)-2-ethyl-4-[(3R)-oxan-3-yl]piperazine is CCOCCN1CCN([C@@H]2CCCOC2)C[C@@H]1CC.
What is the InChIKey of (2S)-1-(2-ethoxyethyl)-2-ethyl-4-[(3R)-oxan-3-yl]piperazine?
The InChIKey is OPPOSKYGJCEKHR-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-3-14-12-17(15-6-5-10-19-13-15)8-7-16(14)9-11-18-4-2/h14-15H,3-13H2,1-2H3/t14-,15+/m0/s1.
What are the key properties of (2S)-1-(2-ethoxyethyl)-2-ethyl-4-[(3R)-oxan-3-yl]piperazine?
(2S)-1-(2-ethoxyethyl)-2-ethyl-4-[(3R)-oxan-3-yl]piperazine has a molecular weight of 270.42 g/mol, XLogP of 1.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-ethoxyethyl)-2-ethyl-4-[(3R)-oxan-3-yl]piperazine is sourced from PubChem (CID 97097714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).