2-[(2S)-4-(3-methoxypyrazin-2-yl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol

C20H28N4O2 — CID 98771100

IUPAC2-[(2S)-4-(3-methoxypyrazin-2-yl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol
SMILESCOc1nccnc1N1CCN(CCCc2ccccc2)[C@@H](CCO)C1
InChIInChI=1S/C20H28N4O2/c1-26-20-19(21-10-11-22-20)24-14-13-23(18(16-24)9-15-25)12-5-8-17-6-3-2-4-7-17/h2-4,6-7,10-11,18,25H,5,8-9,12-16H2,1H3/t18-/m0/s1
InChIKeyPECIVSGBBWCREO-SFHVURJKSA-N
MW356.47 g/mol
LogP1.99
Rot. Bonds8

About 2-[(2S)-4-(3-methoxypyrazin-2-yl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol

2-[(2S)-4-(3-methoxypyrazin-2-yl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol (PubChem CID 98771100) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-[(2S)-4-(3-methoxypyrazin-2-yl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-4-(3-methoxypyrazin-2-yl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol
PubChem CID98771100
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name2-[(2S)-4-(3-methoxypyrazin-2-yl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol
SMILESCOc1nccnc1N1CCN(CCCc2ccccc2)[C@@H](CCO)C1
InChIInChI=1S/C20H28N4O2/c1-26-20-19(21-10-11-22-20)24-14-13-23(18(16-24)9-15-25)12-5-8-17-6-3-2-4-7-17/h2-4,6-7,10-11,18,25H,5,8-9,12-16H2,1H3/t18-/m0/s1
InChIKeyPECIVSGBBWCREO-SFHVURJKSA-N
XLogP1.99
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-(3-methoxypyrazin-2-yl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-4-(3-methoxypyrazin-2-yl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol (CID 98771100) is 2-[(2S)-4-(3-methoxypyrazin-2-yl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-4-(3-methoxypyrazin-2-yl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-4-(3-methoxypyrazin-2-yl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol is COc1nccnc1N1CCN(CCCc2ccccc2)[C@@H](CCO)C1.
What is the InChIKey of 2-[(2S)-4-(3-methoxypyrazin-2-yl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol?
The InChIKey is PECIVSGBBWCREO-SFHVURJKSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-26-20-19(21-10-11-22-20)24-14-13-23(18(16-24)9-15-25)12-5-8-17-6-3-2-4-7-17/h2-4,6-7,10-11,18,25H,5,8-9,12-16H2,1H3/t18-/m0/s1.
What are the key properties of 2-[(2S)-4-(3-methoxypyrazin-2-yl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol?
2-[(2S)-4-(3-methoxypyrazin-2-yl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol has a molecular weight of 356.47 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-(3-methoxypyrazin-2-yl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 98771100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).