2-[(2S)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol

C15H28N4O — CID 30722887

IUPAC2-[(2S)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
SMILESCc1[nH]cnc1CN1CCN(CC(C)C)[C@@H](CCO)C1
InChIInChI=1S/C15H28N4O/c1-12(2)8-19-6-5-18(9-14(19)4-7-20)10-15-13(3)16-11-17-15/h11-12,14,20H,4-10H2,1-3H3,(H,16,17)/t14-/m0/s1
InChIKeyZUQBFACUGAFARH-AWEZNQCLSA-N
MW280.42 g/mol
LogP1.24
Rot. Bonds6

About 2-[(2S)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol

2-[(2S)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol (PubChem CID 30722887) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-[(2S)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
PubChem CID30722887
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name2-[(2S)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
SMILESCc1[nH]cnc1CN1CCN(CC(C)C)[C@@H](CCO)C1
InChIInChI=1S/C15H28N4O/c1-12(2)8-19-6-5-18(9-14(19)4-7-20)10-15-13(3)16-11-17-15/h11-12,14,20H,4-10H2,1-3H3,(H,16,17)/t14-/m0/s1
InChIKeyZUQBFACUGAFARH-AWEZNQCLSA-N
XLogP1.24
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol (CID 30722887) is 2-[(2S)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol is Cc1[nH]cnc1CN1CCN(CC(C)C)[C@@H](CCO)C1.
What is the InChIKey of 2-[(2S)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol?
The InChIKey is ZUQBFACUGAFARH-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H28N4O/c1-12(2)8-19-6-5-18(9-14(19)4-7-20)10-15-13(3)16-11-17-15/h11-12,14,20H,4-10H2,1-3H3,(H,16,17)/t14-/m0/s1.
What are the key properties of 2-[(2S)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol?
2-[(2S)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol has a molecular weight of 280.42 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 30722887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).