(2S)-1-[2-(1H-imidazol-5-yl)ethyl]-2-(2-methoxyethyl)piperazine

C12H22N4O — CID 10657582

IUPAC(2S)-1-[2-(1H-imidazol-5-yl)ethyl]-2-(2-methoxyethyl)piperazine
SMILESCOCC[C@H]1CNCCN1CCc1cnc[nH]1
InChIInChI=1S/C12H22N4O/c1-17-7-3-12-9-13-4-6-16(12)5-2-11-8-14-10-15-11/h8,10,12-13H,2-7,9H2,1H3,(H,14,15)/t12-/m0/s1
InChIKeyMDTOBGOXPLOJOZ-LBPRGKRZSA-N
MW238.33 g/mol
LogP0.26
Rot. Bonds6

About (2S)-1-[2-(1H-imidazol-5-yl)ethyl]-2-(2-methoxyethyl)piperazine

(2S)-1-[2-(1H-imidazol-5-yl)ethyl]-2-(2-methoxyethyl)piperazine (PubChem CID 10657582) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is (2S)-1-[2-(1H-imidazol-5-yl)ethyl]-2-(2-methoxyethyl)piperazine.

Molecular Properties

Compound Name(2S)-1-[2-(1H-imidazol-5-yl)ethyl]-2-(2-methoxyethyl)piperazine
PubChem CID10657582
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name(2S)-1-[2-(1H-imidazol-5-yl)ethyl]-2-(2-methoxyethyl)piperazine
SMILESCOCC[C@H]1CNCCN1CCc1cnc[nH]1
InChIInChI=1S/C12H22N4O/c1-17-7-3-12-9-13-4-6-16(12)5-2-11-8-14-10-15-11/h8,10,12-13H,2-7,9H2,1H3,(H,14,15)/t12-/m0/s1
InChIKeyMDTOBGOXPLOJOZ-LBPRGKRZSA-N
XLogP0.26
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(1H-imidazol-5-yl)ethyl]-2-(2-methoxyethyl)piperazine?
The IUPAC name of (2S)-1-[2-(1H-imidazol-5-yl)ethyl]-2-(2-methoxyethyl)piperazine (CID 10657582) is (2S)-1-[2-(1H-imidazol-5-yl)ethyl]-2-(2-methoxyethyl)piperazine.
What is the SMILES notation for (2S)-1-[2-(1H-imidazol-5-yl)ethyl]-2-(2-methoxyethyl)piperazine?
The canonical SMILES for (2S)-1-[2-(1H-imidazol-5-yl)ethyl]-2-(2-methoxyethyl)piperazine is COCC[C@H]1CNCCN1CCc1cnc[nH]1.
What is the InChIKey of (2S)-1-[2-(1H-imidazol-5-yl)ethyl]-2-(2-methoxyethyl)piperazine?
The InChIKey is MDTOBGOXPLOJOZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H22N4O/c1-17-7-3-12-9-13-4-6-16(12)5-2-11-8-14-10-15-11/h8,10,12-13H,2-7,9H2,1H3,(H,14,15)/t12-/m0/s1.
What are the key properties of (2S)-1-[2-(1H-imidazol-5-yl)ethyl]-2-(2-methoxyethyl)piperazine?
(2S)-1-[2-(1H-imidazol-5-yl)ethyl]-2-(2-methoxyethyl)piperazine has a molecular weight of 238.33 g/mol, XLogP of 0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(1H-imidazol-5-yl)ethyl]-2-(2-methoxyethyl)piperazine is sourced from PubChem (CID 10657582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).